A0A087X9Z3_POEFO Loading...

Lysophosphatidylcholine acyltransferase 4

AlphaFold DB , UniProt , Accession A0A087X9Z3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 518 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M28Very low26Very low252 Ų252142.5 Ų142.5100%1.24181%0.814SS**  073.20-126.3176.416000106.7
2E24Very low27.9Very low197 Ų197146.5 Ų146.592%0.92182%0.821SS**  trans-100.1118.5177.3-78175.3143.400107G4E2-G4 PolarHBondContact O-N 3.41Å
3K24.5Very low30Very low207 Ų207143 Ų14390%0.979%0.788SS**  trans-81.2107.1167.9-83.7-179.7173.61800106.5
4G21.8Very low32.8Very low72 Ų72135.4 Ų135.474%0.74275%0.749SS**  trans-64.6130.1168.100000110E2 C6E2-G4 PolarHBondContact O-N 3.41Å; G4-C6 PolarHBondContact O-N 3.15Å; G4-C6 VanDerWaalsContact O-N 3.15Å
5D22.2Very low36.2Very low165 Ų165129.8 Ų129.888%0.88272%0.715SS**  trans-60.7113.1170-78.5-37.5000109.2C7D5-C7 PolarHBondContact O-N 2.84Å
6C21.9Very low39.5Very low106 Ų106121.7 Ų121.772%0.71667%0.67SS**  trans-71.7110.8171.7-165.40000107.5G4 T8G4-C6 PolarHBondContact O-N 3.15Å; G4-C6 VanDerWaalsContact O-N 3.15Å; C6-T8 VanDerWaalsContact C-N 3.28Å; C6-T8 PolarHBondContact O-N 3.29Å
7C24.6Very low42.4Very low133 Ų133114.5 Ų114.590%0.89963%0.631SS**  trans-64.985.5171.7-79.60000110.6D5D5-C7 PolarHBondContact O-N 2.84Å
8T26.9Very low44.9Very low120 Ų120110.6 Ų110.674%0.73661%0.61SS**  trans-94.4106.5165.848.30000109.8C6C6-T8 VanDerWaalsContact C-N 3.28Å; C6-T8 PolarHBondContact O-N 3.29Å
9A26.3Very low47.2Very low84 Ų84106.6 Ų106.669%0.69459%0.586SS**  trans158.8109.8147.200000108.1E11A9-E11 VanDerWaalsContact C-N 3.31Å; A9-E11 PolarHBondContact O-N 3.22Å
10T33.4Very low49Very low98 Ų98108.2 Ų108.260%0.60159%0.589SS**  trans-58.4100.5152.423.90000106.8E12T10-E12 VanDerWaalsContact C-N 3.32Å; T10-E12 PolarHBondContact O-N 3.24Å
11E32.8Very low50.6Low134 Ų134104.4 Ų104.463%0.62657%0.569SS**  trans-58.2102.4165.5-77.4-170.5159.100106.9A9 Y13A9-E11 VanDerWaalsContact C-N 3.31Å; A9-E11 PolarHBondContact O-N 3.22Å; E11-Y13 HydrophobicContact CB-CD1 4.44Å; E11-Y13 HydrophobicContact CB-CE1 4.03Å; E11-Y13 HydrophobicContact CB-CE2 4.3Å; E11-Y13 VanDerWaalsContact O-CD2 3.28Å; E11-Y13 WeakPolarHBondContact O-CD2 3.32Å; E11-Y13 PolarHBondContact O-N 2.91Å; E11-Y13 VanDerWaalsContact OE2-CE1 3.29Å; E11-Y13 WeakPolarHBondContact OE2-CE1 3.42Å; E11-Y13 PolarHBondContact OE2-OH 3.49Å
12E48.2Very low53.2Low190 Ų190101 Ų10189%0.88855%0.548SS*.  trans-62.388.9168.1-87.2-171149.300107.6T10T10-E12 VanDerWaalsContact C-N 3.32Å; T10-E12 PolarHBondContact O-N 3.24Å
13Y55.5Low56.2Low101 Ų10193 Ų9340%0.39651%0.511SS..  trans-62.8139.3175-63.9-66.8000109.2E11 H15 P292 T294E11-Y13 HydrophobicContact CB-CD1 4.44Å; E11-Y13 HydrophobicContact CB-CE1 4.03Å; E11-Y13 HydrophobicContact CB-CE2 4.3Å; E11-Y13 VanDerWaalsContact O-CD2 3.28Å; E11-Y13 WeakPolarHBondContact O-CD2 3.32Å; E11-Y13 PolarHBondContact O-N 2.91Å; E11-Y13 VanDerWaalsContact OE2-CE1 3.29Å; E11-Y13 WeakPolarHBondContact OE2-CE1 3.42Å; E11-Y13 PolarHBondContact OE2-OH 3.49Å; Y13-H15 PolarHBondContact O-N 2.89Å; Y13-P292 HydrophobicContact CD1-CB 3.37Å; Y13-P292 HydrophobicContact CD1-CG 3.64Å; Y13-P292 HydrophobicContact CE1-CB 3.47Å; Y13-P292 VanDerWaalsContact CE1-CB 3.47Å; Y13-P292 HydrophobicContact CE1-CG 4.24Å; Y13-P292 HydrophobicContact CG-CB 4.43Å; Y13-T294 HydrophobicContact CD1-CG2 4.17Å; Y13-T294 HydrophobicContact CD2-CG2 4Å; Y13-T294 HydrophobicContact CG-CG2 3.75Å
14P68.6Low59.4Low37 Ų3787 Ų8724%0.2449%0.492CS..  trans-59.3125.3-178.923.4-32.8000110.2P16 R202P14-P16 WeakPolarHBondContact O-CD 3.23Å; P14-R202 HydrophobicContact CB-CB 4.03Å; P14-R202 HydrophobicContact CG-CB 3.84Å
15H84.3Confident62.7Low51 Ų5193.8 Ų93.824%0.23650%0.495CS..  trans-50.2108-178.3-171.1-69.5000111.3Y13 F17 V18 N200 L314Y13-H15 PolarHBondContact O-N 2.89Å; H15-F17 VanDerWaalsContact C-N 3.25Å; H15-F17 PolarHBondContact ND1-N 3.09Å; H15-F17 PolarHBondContact O-N 3.01Å; H15-V18 WeakPolarHBondContact CE1-CG2 3.19Å; H15-V18 WeakPolarHBondContact ND1-CG2 3.45Å; H15-V18 PolarHBondContact ND1-N 3.49Å; H15-N200 PolarHBondContact O-ND2 2.9Å; H15-L314 WeakPolarHBondContact NE2-CB 3.32Å
16P89.3Confident66Low0 Ų089.3 Ų89.30%048%0.481CS..THydrogen-bonded Turntrans-76-13.7-165.725.3-30.4000113.5P14 T199 N200 A203 I205 H296P14-P16 WeakPolarHBondContact O-CD 3.23Å; P16-T199 CarbonylContact O-C 3.36Å; P16-T199 WeakPolarHBondContact O-CA 3.39Å; P16-T199 WeakPolarHBondContact O-CB 3.32Å; P16-N200 WeakPolarHBondContact CA-OD1 3.39Å; P16-N200 VanDerWaalsContact O-CG 3.28Å; P16-N200 PolarHBondContact O-N 3.25Å; P16-N200 PolarHBondContact O-OD1 3.16Å; P16-A203 HydrophobicContact CB-CB 4.38Å; P16-I205 HydrophobicContact CB-CG2 3.7Å; P16-I205 HydrophobicContact CG-CG2 3.63Å; P16-H296 HydrophobicContact CG-CB 4.11Å
17F89.1Confident69.3Low0 Ų087.5 Ų87.50%046%0.462CS..THydrogen-bonded Turntrans-1034.1-175.1-51.7-77.1000114.4H15 T197 T199 I205 T235 Y236 K237 H296 M298 P303 L314H15-F17 VanDerWaalsContact C-N 3.25Å; H15-F17 PolarHBondContact ND1-N 3.09Å; H15-F17 PolarHBondContact O-N 3.01Å; F17-T197 HydrophobicContact CE1-CG2 3.9Å; F17-T199 HydrophobicContact CD1-CG2 4.22Å; F17-T199 HydrophobicContact CE1-CG2 4.01Å; F17-I205 HydrophobicContact CE1-CD1 3.89Å; F17-I205 HydrophobicContact CE1-CG2 3.99Å; F17-I205 HydrophobicContact CE2-CG2 4.27Å; F17-I205 HydrophobicContact CZ-CB 4.37Å; F17-I205 HydrophobicContact CZ-CD1 4.07Å; F17-I205 HydrophobicContact CZ-CG2 3.65Å; F17-T235 VanDerWaalsContact O-CB 3.31Å; F17-T235 WeakPolarHBondContact O-CB 3.33Å; F17-T235 PolarHBondContact O-OG1 3.37Å; F17-Y236 PolarHBondContact O-N 2.9Å; F17-K237 PolarHBondContact O-N 3Å; F17-K237 VanDerWaalsContact O-N 3.1Å; F17-H296 HydrophobicContact CE2-CB 4Å; F17-H296 HydrophobicContact CZ-CB 4.3Å; F17-M298 HydrophobicContact CD1-CG 3.9Å; F17-M298 HydrophobicContact CD1-SD 3.47Å; F17-M298 WeakPolarHBondContact CD1-SD 3.39Å; F17-M298 HydrophobicContact CD2-SD 4.24Å; F17-M298 HydrophobicContact CE1-CG 3.31Å; F17-M298 HydrophobicContact CE1-SD 3.4Å; F17-M298 WeakPolarHBondContact CE1-SD 3.32Å; F17-M298 HydrophobicContact CE2-SD 4.14Å; F17-M298 HydrophobicContact CG-SD 3.89Å; F17-M298 HydrophobicContact CZ-CG 3.77Å; F17-M298 HydrophobicContact CZ-SD 3.73Å; F17-P303 HydrophobicContact CB-CB 4.26Å; F17-P303 HydrophobicContact CD2-CB 3.2Å; F17-P303 HydrophobicContact CD2-CG 4.29Å; F17-P303 HydrophobicContact CE2-CB 3.51Å; F17-P303 HydrophobicContact CG-CB 3.81Å; F17-P303 HydrophobicContact CZ-CB 4.37Å; F17-L314 HydrophobicContact CD2-CD1 3.95Å; F17-L314 HydrophobicContact CE2-CD1 4.13Å
18V87Confident72.4Confident44 Ų4488.4 Ų88.427%0.26745%0.446SS..EExtended strand (participates in β ladder)trans-115.9128.6179.3173.50000109.5H15 N200 K237H15-V18 WeakPolarHBondContact CE1-CG2 3.19Å; H15-V18 WeakPolarHBondContact ND1-CG2 3.45Å; H15-V18 PolarHBondContact ND1-N 3.49Å; V18-N200 PolarHBondContact O-ND2 2.86Å; V18-K237 VanDerWaalsContact CA-O 3.3Å; V18-K237 WeakPolarHBondContact CA-O 3.35Å; V18-K237 HydrophobicContact CG2-CB 3.89Å; V18-K237 HydrophobicContact CG2-CD 4.15Å; V18-K237 HydrophobicContact CG2-CG 4.36Å
19F87.6Confident75.5Confident34 Ų3487.5 Ų87.515%0.14944%0.436CS..EExtended strand (participates in β ladder)trans-150117.3173.6-172.8-101.1000111V21 N200 D230 R233 T235 K237 G238F19-V21 HydrophobicContact CD1-CG2 4.43Å; F19-V21 HydrophobicContact CE1-CG2 3.99Å; F19-N200 HydrophobicContact CB-CB 3.94Å; F19-N200 HydrophobicContact CD2-CB 4.06Å; F19-N200 HydrophobicContact CG-CB 4.33Å; F19-D230 WeakPolarHBondContact CE1-O 3.2Å; F19-D230 HydrophobicContact CZ-CB 3.88Å; F19-D230 VanDerWaalsContact CZ-OD2 3.31Å; F19-D230 WeakPolarHBondContact CZ-OD2 3.11Å; F19-R233 HydrophobicContact CB-CB 4.46Å; F19-R233 HydrophobicContact CD1-CB 3.55Å; F19-R233 HydrophobicContact CD1-CG 4.42Å; F19-R233 HydrophobicContact CE1-CB 3.86Å; F19-R233 HydrophobicContact CE1-CG 4.46Å; F19-R233 HydrophobicContact CG-CB 3.95Å; F19-T235 HydrophobicContact CB-CG2 3.67Å; F19-T235 PolarHBondContact N-OG1 3.23Å; F19-T235 VanDerWaalsContact N-OG1 3.16Å; F19-K237 PolarHBondContact N-O 3.34Å; F19-G238 WeakPolarHBondContact O-CA 3.32Å
20E83.1Confident78.6Confident139 Ų13990.3 Ų90.365%0.6543%0.429SS*.  trans-106.9130.6171.5-68.9-174.1172.500110.2K22E20-K22 PolarHBondContact O-N 2.68Å
21V83.1Confident81.4Confident28 Ų2886.5 Ų86.517%0.1741%0.408CS..  trans-7397174.4-171.50000108.5F19 L23 T231 A239F19-V21 HydrophobicContact CD1-CG2 4.43Å; F19-V21 HydrophobicContact CE1-CG2 3.99Å; V21-L23 HydrophobicContact CG1-CD1 4.33Å; V21-L23 HydrophobicContact CG1-CD2 3.74Å; V21-L23 HydrophobicContact CG1-CG 3.83Å; V21-L23 PolarHBondContact O-N 3.17Å; V21-T231 HydrophobicContact CG1-CG2 4.32Å; V21-A239 HydrophobicContact CG2-CB 4.21Å
22K84Confident84.3Confident181 Ų18185.2 Ų85.279%0.78741%0.405SS*.  trans-79.7100177-67.5-172.9-180-176.40110.4E20E20-K22 PolarHBondContact O-N 2.68Å
23L86.4Confident86.5Confident29 Ų2981.4 Ų81.415%0.15239%0.39CS..  trans-103.5130.6175.3-57.8178.6000111.1V21 Q27 R28 V229V21-L23 HydrophobicContact CG1-CD1 4.33Å; V21-L23 HydrophobicContact CG1-CD2 3.74Å; V21-L23 HydrophobicContact CG1-CG 3.83Å; V21-L23 PolarHBondContact O-N 3.17Å; L23-Q27 HydrophobicContact CB-CB 4.21Å; L23-Q27 HydrophobicContact CD2-CB 4.29Å; L23-R28 HydrophobicContact CB-CG 3.56Å; L23-R28 HydrophobicContact CD1-CG 4.08Å; L23-R28 HydrophobicContact CG-CG 4.47Å; L23-R28 PolarHBondContact O-NE 3.46Å; L23-V229 HydrophobicContact CD2-CG1 3.36Å
24T90.3Very high88.4Confident80 Ų8078.2 Ų78.249%0.49138%0.38SS..  trans-62.5158.9165.661.90000110.8A26 Q27 R28T24-A26 PolarHBondContact O-N 3.45Å; T24-Q27 PolarHBondContact O-N 3.27Å; T24-Q27 WeakPolarHBondContact OG1-CB 3.29Å; T24-Q27 VanDerWaalsContact OG1-CD 3.24Å; T24-Q27 VanDerWaalsContact OG1-CG 3.23Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.29Å; T24-Q27 PolarHBondContact OG1-N 2.88Å; T24-Q27 PolarHBondContact OG1-OE1 3.41Å; T24-R28 WeakPolarHBondContact O-CG 3.09Å; T24-R28 PolarHBondContact O-N 3.26Å
25R91.9Very high89.6Confident216 Ų21676.5 Ų76.582%0.81537%0.368SS*.Hα-helixtrans-53.9-43.1176.4-67.7-177-176.2-179.40.1111.9R28 I29R25-R28 PolarHBondContact O-N 3.04Å; R25-I29 WeakPolarHBondContact O-CG1 3.36Å; R25-I29 PolarHBondContact O-N 2.6Å
26A91.3Very high90.1Very high71 Ų7177.6 Ų77.659%0.58738%0.382SS*.Hα-helixtrans-62.3-42.9176.500000112.5T24 I29 R30T24-A26 PolarHBondContact O-N 3.45Å; A26-I29 PolarHBondContact O-N 2.97Å; A26-R30 VanDerWaalsContact O-CB 3.25Å; A26-R30 WeakPolarHBondContact O-CB 3.19Å; A26-R30 PolarHBondContact O-N 3.29Å
27Q90.8Very high90.4Very high67 Ų6782.2 Ų82.231%0.31341%0.41SS..Hα-helixtrans-66.5-35.9175.9-74.9163.4-30.500112.4L23 T24 G31L23-Q27 HydrophobicContact CB-CB 4.21Å; L23-Q27 HydrophobicContact CD2-CB 4.29Å; T24-Q27 PolarHBondContact O-N 3.27Å; T24-Q27 WeakPolarHBondContact OG1-CB 3.29Å; T24-Q27 VanDerWaalsContact OG1-CD 3.24Å; T24-Q27 VanDerWaalsContact OG1-CG 3.23Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.29Å; T24-Q27 PolarHBondContact OG1-N 2.88Å; T24-Q27 PolarHBondContact OG1-OE1 3.41Å; Q27-G31 PolarHBondContact O-N 2.76Å
28R90.7Very high90.8Very high152 Ų15284.2 Ų84.257%0.57442%0.42SS*.Hα-helixtrans-64.4-49.8174-68.9-177.6-175.2177.5-2.4111.3L23 T24 R25 R30 G31 L32L23-R28 HydrophobicContact CB-CG 3.56Å; L23-R28 HydrophobicContact CD1-CG 4.08Å; L23-R28 HydrophobicContact CG-CG 4.47Å; L23-R28 PolarHBondContact O-NE 3.46Å; T24-R28 WeakPolarHBondContact O-CG 3.09Å; T24-R28 PolarHBondContact O-N 3.26Å; R25-R28 PolarHBondContact O-N 3.04Å; R28-R30 PolarHBondContact O-N 2.98Å; R28-G31 PolarHBondContact O-N 2.85Å; R28-L32 WeakPolarHBondContact O-CG 3.16Å; R28-L32 PolarHBondContact O-N 3.36Å
29I92.6Very high91.3Very high101 Ų10182.9 Ų82.952%0.51841%0.412SS..Hα-helixtrans-59.6-48.3177.8-66.9166.3000110.3R25 A26 G31 L32 I33R25-I29 WeakPolarHBondContact O-CG1 3.36Å; R25-I29 PolarHBondContact O-N 2.6Å; A26-I29 PolarHBondContact O-N 2.97Å; I29-G31 VanDerWaalsContact C-N 3.32Å; I29-G31 PolarHBondContact O-N 2.73Å; I29-L32 PolarHBondContact O-N 3.28Å; I29-I33 HydrophobicContact CG2-CD1 3.74Å; I29-I33 HydrophobicContact CG2-CG1 4.46Å; I29-I33 WeakPolarHBondContact O-CG1 3.34Å; I29-I33 PolarHBondContact O-N 3.17Å
30R91.4Very high91.7Very high144 Ų14484.5 Ų84.554%0.54343%0.426SS..Hα-helixtrans-58.7-44.3175.5179.2178.8177.8170.62.6111.8A26 R28 L32 I33 L34A26-R30 VanDerWaalsContact O-CB 3.25Å; A26-R30 WeakPolarHBondContact O-CB 3.19Å; A26-R30 PolarHBondContact O-N 3.29Å; R28-R30 PolarHBondContact O-N 2.98Å; R30-L32 VanDerWaalsContact C-N 3.32Å; R30-L32 PolarHBondContact O-N 3.17Å; R30-I33 PolarHBondContact O-N 3.25Å; R30-L34 HydrophobicContact CG-CD1 3.59Å; R30-L34 HydrophobicContact CG-CG 4.22Å; R30-L34 WeakPolarHBondContact O-CB 3.47Å; R30-L34 VanDerWaalsContact O-CG 3.32Å; R30-L34 WeakPolarHBondContact O-CG 3.29Å; R30-L34 PolarHBondContact O-N 3.49Å
31G91.3Very high92.4Very high17 Ų1781.9 Ų81.918%0.17542%0.419CS..Hα-helixtrans-63.2-36.5177.700000112.6Q27 R28 I29 G35Q27-G31 PolarHBondContact O-N 2.76Å; R28-G31 PolarHBondContact O-N 2.85Å; I29-G31 VanDerWaalsContact C-N 3.32Å; I29-G31 PolarHBondContact O-N 2.73Å; G31-G35 WeakPolarHBondContact O-CA 3.28Å; G31-G35 PolarHBondContact O-N 3.06Å
32L93.4Very high93.1Very high107 Ų10782 Ų8256%0.5642%0.417SS*.Hα-helixtrans-68.7-46.6174.9-72.1169.6000111.9R28 I29 R30 S36 W246R28-L32 WeakPolarHBondContact O-CG 3.16Å; R28-L32 PolarHBondContact O-N 3.36Å; I29-L32 PolarHBondContact O-N 3.28Å; R30-L32 VanDerWaalsContact C-N 3.32Å; R30-L32 PolarHBondContact O-N 3.17Å; L32-S36 WeakPolarHBondContact O-CB 3.4Å; L32-S36 PolarHBondContact O-N 2.75Å; L32-S36 PolarHBondContact O-OG 2.91Å; L32-W246 HydrophobicContact CD2-CZ2 4.32Å
33I94.5Very high93.7Very high111 Ų11176.2 Ų76.257%0.56940%0.396SS*.Hα-helixtrans-65.3-47.1-179.8-65.4168.1000111.1I29 R30 S36I29-I33 HydrophobicContact CG2-CD1 3.74Å; I29-I33 HydrophobicContact CG2-CG1 4.46Å; I29-I33 WeakPolarHBondContact O-CG1 3.34Å; I29-I33 PolarHBondContact O-N 3.17Å; R30-I33 PolarHBondContact O-N 3.25Å; I33-S36 PolarHBondContact O-OG 2.97Å
34L95Very high94.3Very high34 Ų3478.8 Ų78.818%0.17841%0.413CS..Hα-helixtrans-73.2-38.6178.3-66175000111.3R30 S36 V37 L38 F252R30-L34 HydrophobicContact CG-CD1 3.59Å; R30-L34 HydrophobicContact CG-CG 4.22Å; R30-L34 WeakPolarHBondContact O-CB 3.47Å; R30-L34 VanDerWaalsContact O-CG 3.32Å; R30-L34 WeakPolarHBondContact O-CG 3.29Å; R30-L34 PolarHBondContact O-N 3.49Å; L34-S36 PolarHBondContact O-N 3.47Å; L34-V37 PolarHBondContact O-N 3.44Å; L34-L38 HydrophobicContact CB-CD1 4.13Å; L34-L38 VanDerWaalsContact O-CB 3.28Å; L34-L38 WeakPolarHBondContact O-CB 3.26Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 2.97Å; L34-F252 HydrophobicContact CD1-CD2 3.82Å; L34-F252 HydrophobicContact CD1-CE2 3.24Å; L34-F252 HydrophobicContact CD1-CZ 3.67Å; L34-F252 HydrophobicContact CD2-CE1 4.18Å; L34-F252 HydrophobicContact CD2-CE2 4.1Å; L34-F252 HydrophobicContact CD2-CZ 3.6Å; L34-F252 HydrophobicContact CG-CE2 4.32Å; L34-F252 HydrophobicContact CG-CZ 4.31Å
35G94.6Very high94.6Very high0 Ų078.5 Ų78.50%041%0.409CS..Hα-helixtrans-63.1-39.8-177.600000112.7G31 V37 V39 P40 S250G31-G35 WeakPolarHBondContact O-CA 3.28Å; G31-G35 PolarHBondContact O-N 3.06Å; G35-V37 PolarHBondContact O-N 2.95Å; G35-V37 VanDerWaalsContact O-N 3.17Å; G35-V39 WeakPolarHBondContact O-CB 3.36Å; G35-V39 WeakPolarHBondContact O-CG2 3.44Å; G35-V39 PolarHBondContact O-N 3.5Å; G35-P40 WeakPolarHBondContact O-CD 3.49Å; G35-S250 WeakPolarHBondContact CA-OG 3.29Å
36S95.1Very high94.9Very high74 Ų7468.5 Ų68.552%0.51737%0.372SS..Hα-helixtrans-60.8-2617864.90000113.6L32 I33 L34 P40L32-S36 WeakPolarHBondContact O-CB 3.4Å; L32-S36 PolarHBondContact O-N 2.75Å; L32-S36 PolarHBondContact O-OG 2.91Å; I33-S36 PolarHBondContact O-OG 2.97Å; L34-S36 PolarHBondContact O-N 3.47Å; S36-P40 WeakPolarHBondContact O-CG 3.39Å
37V95.6Very high95.2Very high97 Ų9767.3 Ų67.359%0.58836%0.362SS*.Hα-helixtrans-99.3-51.1178-177.40000111.6L34 G35 V41L34-V37 PolarHBondContact O-N 3.44Å; G35-V37 PolarHBondContact O-N 2.95Å; G35-V37 VanDerWaalsContact O-N 3.17Å; V37-V41 WeakPolarHBondContact O-CG2 3.38Å
38L97Very high95.5Very high42 Ų4268.3 Ų68.322%0.2237%0.369CS..Hα-helixtrans-72.5-42.3-173.1-65.9-179000112.2L34 V41 R42L34-L38 HydrophobicContact CB-CD1 4.13Å; L34-L38 VanDerWaalsContact O-CB 3.28Å; L34-L38 WeakPolarHBondContact O-CB 3.26Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 2.97Å; L38-V41 PolarHBondContact O-N 3.33Å; L38-R42 WeakPolarHBondContact O-CB 3.21Å; L38-R42 WeakPolarHBondContact O-CG 3.46Å; L38-R42 PolarHBondContact O-N 3Å
39V97.4Very high95.9Very high16 Ų1663.8 Ų63.810%0.09735%0.354CS..Hα-helixtrans-63.1-50.1-173.5177.70000111.4G35 V41 R42 V43 W246 A249 S250G35-V39 WeakPolarHBondContact O-CB 3.36Å; G35-V39 WeakPolarHBondContact O-CG2 3.44Å; G35-V39 PolarHBondContact O-N 3.5Å; V39-V41 PolarHBondContact O-N 3.45Å; V39-R42 PolarHBondContact O-N 2.83Å; V39-V43 HydrophobicContact CG1-CG2 3.85Å; V39-V43 VanDerWaalsContact O-CB 3.29Å; V39-V43 WeakPolarHBondContact O-CB 3.46Å; V39-V43 VanDerWaalsContact O-CG2 3.27Å; V39-V43 WeakPolarHBondContact O-CG2 3.2Å; V39-V43 PolarHBondContact O-N 3.45Å; V39-W246 HydrophobicContact CB-CE3 4.02Å; V39-W246 HydrophobicContact CB-CZ3 3.99Å; V39-W246 HydrophobicContact CG1-CE3 3.88Å; V39-W246 HydrophobicContact CG1-CZ3 4.18Å; V39-W246 HydrophobicContact CG2-CD2 4.18Å; V39-W246 HydrophobicContact CG2-CE3 3.77Å; V39-W246 HydrophobicContact CG2-CZ3 4.01Å; V39-A249 HydrophobicContact CG2-CB 3.96Å; V39-S250 WeakPolarHBondContact CG2-OG 3.48Å
40P97.3Very high96.1Very high68 Ų6862.1 Ų62.144%0.44234%0.343SS..Hα-helixtrans-57.1-48.4177.8-25.835.4000112.4G35 S36 R42 T44G35-P40 WeakPolarHBondContact O-CD 3.49Å; S36-P40 WeakPolarHBondContact O-CG 3.39Å; P40-R42 PolarHBondContact O-N 3.38Å; P40-T44 VanDerWaalsContact O-CB 3.24Å; P40-T44 WeakPolarHBondContact O-CB 3.3Å; P40-T44 PolarHBondContact O-N 3.31Å; P40-T44 PolarHBondContact O-OG1 3.48Å
41V97.6Very high96.4Very high84 Ų8460.4 Ų60.451%0.50934%0.344SS..Hα-helixtrans-60.8-48.9-179.7175.20000111.1V37 L38 V39 T44 L45V37-V41 WeakPolarHBondContact O-CG2 3.38Å; L38-V41 PolarHBondContact O-N 3.33Å; V39-V41 PolarHBondContact O-N 3.45Å; V41-T44 PolarHBondContact O-N 3.03Å; V41-L45 HydrophobicContact CG1-CD1 3.98Å; V41-L45 WeakPolarHBondContact O-CB 3.41Å; V41-L45 VanDerWaalsContact O-CG 3.24Å; V41-L45 WeakPolarHBondContact O-CG 3.3Å; V41-L45 PolarHBondContact O-N 3.37Å
42R97.4Very high96.7Very high30 Ų3063.5 Ų63.511%0.11336%0.356CS..Hα-helixtrans-68.7-42.9-175.4-70-176.6166.4-174.1-3.4112.9L38 V39 P40 L45 A46 S95 A249 Q251 F252L38-R42 WeakPolarHBondContact O-CB 3.21Å; L38-R42 WeakPolarHBondContact O-CG 3.46Å; L38-R42 PolarHBondContact O-N 3Å; V39-R42 PolarHBondContact O-N 2.83Å; P40-R42 PolarHBondContact O-N 3.38Å; R42-L45 PolarHBondContact O-N 3.22Å; R42-A46 WeakPolarHBondContact O-CB 3.34Å; R42-A46 PolarHBondContact O-N 3.18Å; R42-S95 WeakPolarHBondContact CB-O 3.48Å; R42-S95 WeakPolarHBondContact CD-O 3.41Å; R42-S95 WeakPolarHBondContact CG-O 3.37Å; R42-S95 PolarHBondContact NE-O 3Å; R42-S95 PolarHBondContact O-OG 3.18Å; R42-A249 WeakPolarHBondContact CD-O 3.32Å; R42-A249 PolarHBondContact NH1-O 3.25Å; R42-Q251 PolarHBondContact NH1-O 2.96Å; R42-Q251 PolarHBondContact NH2-O 3.33Å; R42-F252 PolarHBondContact NH2-O 2.78Å
43V96.9Very high96.9Very high60 Ų6058.6 Ų58.636%0.36433%0.33SS..Hα-helixtrans-66.9-41.6177.6172.90000110.2V39 A46 A47 V245V39-V43 HydrophobicContact CG1-CG2 3.85Å; V39-V43 VanDerWaalsContact O-CB 3.29Å; V39-V43 WeakPolarHBondContact O-CB 3.46Å; V39-V43 VanDerWaalsContact O-CG2 3.27Å; V39-V43 WeakPolarHBondContact O-CG2 3.2Å; V39-V43 PolarHBondContact O-N 3.45Å; V43-A46 PolarHBondContact O-N 2.83Å; V43-A47 WeakPolarHBondContact O-CB 3.46Å; V43-A47 PolarHBondContact O-N 3.33Å; V43-V245 HydrophobicContact CG2-CG1 4.06Å
44T97.8Very high97.1Very high83 Ų8358.8 Ų58.851%0.50932%0.323SS..Hα-helixtrans-61.7-46.6174.5-66.40000111.4P40 V41 A46 A47 L48P40-T44 VanDerWaalsContact O-CB 3.24Å; P40-T44 WeakPolarHBondContact O-CB 3.3Å; P40-T44 PolarHBondContact O-N 3.31Å; P40-T44 PolarHBondContact O-OG1 3.48Å; V41-T44 PolarHBondContact O-N 3.03Å; T44-A46 PolarHBondContact O-N 2.88Å; T44-A47 PolarHBondContact O-N 2.95Å; T44-L48 HydrophobicContact CG2-CD1 4.26Å; T44-L48 HydrophobicContact CG2-CG 4.49Å; T44-L48 WeakPolarHBondContact O-CG 3.28Å; T44-L48 PolarHBondContact O-N 3.03Å
45L98Very high97.2Very high75 Ų7559.9 Ų59.939%0.39333%0.333SS..Hα-helixtrans-60.8-44.1175.9-71.8172.8000112.2V41 R42 A47 L48 F49V41-L45 HydrophobicContact CG1-CD1 3.98Å; V41-L45 WeakPolarHBondContact O-CB 3.41Å; V41-L45 VanDerWaalsContact O-CG 3.24Å; V41-L45 WeakPolarHBondContact O-CG 3.3Å; V41-L45 PolarHBondContact O-N 3.37Å; R42-L45 PolarHBondContact O-N 3.22Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 PolarHBondContact O-N 3.49Å; L45-L48 PolarHBondContact O-N 3.37Å; L45-F49 WeakPolarHBondContact O-CD2 3.42Å; L45-F49 PolarHBondContact O-N 3.14Å; L45-F49 VanDerWaalsContact O-N 3.07Å
46A97.6Very high97.3Very high6 Ų661.3 Ų61.35%0.0534%0.34CS..Hα-helixtrans-60.1-44.4175.500000111.5R42 V43 T44 F49 F50 V92 S95 L96R42-A46 WeakPolarHBondContact O-CB 3.34Å; R42-A46 PolarHBondContact O-N 3.18Å; V43-A46 PolarHBondContact O-N 2.83Å; T44-A46 PolarHBondContact O-N 2.88Å; A46-F49 PolarHBondContact O-N 2.91Å; A46-F50 WeakPolarHBondContact O-CD2 3.38Å; A46-F50 PolarHBondContact O-N 2.99Å; A46-V92 HydrophobicContact CB-CG1 4.28Å; A46-S95 WeakPolarHBondContact CB-OG 3.29Å; A46-S95 PolarHBondContact N-OG 3.36Å; A46-L96 HydrophobicContact CB-CD2 4.13Å; A46-L96 HydrophobicContact CB-CG 4.28Å
47A97.1Very high97.3Very high45 Ų4557.8 Ų57.837%0.37232%0.316SS..Hα-helixtrans-62.6-42.7177.700000112V43 T44 L45 F49 F50 L51V43-A47 WeakPolarHBondContact O-CB 3.46Å; V43-A47 PolarHBondContact O-N 3.33Å; T44-A47 PolarHBondContact O-N 2.95Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 PolarHBondContact O-N 3.49Å; A47-F49 PolarHBondContact O-N 2.94Å; A47-F50 PolarHBondContact O-N 3.48Å; A47-L51 VanDerWaalsContact O-CG 3.32Å; A47-L51 WeakPolarHBondContact O-CG 3.31Å; A47-L51 PolarHBondContact O-N 2.94Å
48L98.1Very high97.3Very high88 Ų8858.4 Ų58.446%0.46131%0.307SS..Hα-helixtrans-59.9-45.2175.4-71.1173.2000111.6T44 L45 F50 L51 I52T44-L48 HydrophobicContact CG2-CD1 4.26Å; T44-L48 HydrophobicContact CG2-CG 4.49Å; T44-L48 WeakPolarHBondContact O-CG 3.28Å; T44-L48 PolarHBondContact O-N 3.03Å; L45-L48 PolarHBondContact O-N 3.37Å; L48-F50 PolarHBondContact O-N 3.42Å; L48-L51 PolarHBondContact O-N 3.44Å; L48-I52 WeakPolarHBondContact O-CG1 3Å; L48-I52 PolarHBondContact O-N 3.31Å
49F98.3Very high97.2Very high57 Ų5760.6 Ų60.625%0.2532%0.319CS..Hα-helixtrans-62.9-41.9175.1-69.4-51.8000112.2L45 A46 A47 L51 I52 M53 L88 A91 V92L45-F49 WeakPolarHBondContact O-CD2 3.42Å; L45-F49 PolarHBondContact O-N 3.14Å; L45-F49 VanDerWaalsContact O-N 3.07Å; A46-F49 PolarHBondContact O-N 2.91Å; A47-F49 PolarHBondContact O-N 2.94Å; F49-L51 VanDerWaalsContact C-N 3.32Å; F49-L51 PolarHBondContact O-N 3.38Å; F49-I52 PolarHBondContact O-N 2.87Å; F49-M53 WeakPolarHBondContact O-CB 3.35Å; F49-M53 WeakPolarHBondContact O-CG 3.43Å; F49-M53 PolarHBondContact O-N 3.35Å; F49-L88 HydrophobicContact CD1-CD2 3.83Å; F49-L88 HydrophobicContact CE1-CD2 4.43Å; F49-A91 HydrophobicContact CD1-CB 4.28Å; F49-A91 HydrophobicContact CD2-CB 3.98Å; F49-A91 HydrophobicContact CE1-CB 4.09Å; F49-A91 HydrophobicContact CE2-CB 3.77Å; F49-A91 HydrophobicContact CG-CB 4.24Å; F49-A91 HydrophobicContact CZ-CB 3.84Å; F49-V92 HydrophobicContact CB-CG2 3.52Å; F49-V92 HydrophobicContact CG-CG2 4.42Å
50F97.7Very high97.1Very high67 Ų6760.5 Ų60.529%0.29432%0.317SS..Hα-helixtrans-60.4-40.3174.2-84.4-55.9000112.8A46 A47 L48 I52 M53 W54 V92 V149 I150 L153A46-F50 WeakPolarHBondContact O-CD2 3.38Å; A46-F50 PolarHBondContact O-N 2.99Å; A47-F50 PolarHBondContact O-N 3.48Å; L48-F50 PolarHBondContact O-N 3.42Å; F50-I52 VanDerWaalsContact C-N 3.33Å; F50-I52 PolarHBondContact O-N 3.46Å; F50-M53 HydrophobicContact CD1-SD 4.18Å; F50-M53 PolarHBondContact O-N 3.07Å; F50-W54 PolarHBondContact O-N 2.81Å; F50-V92 HydrophobicContact CD2-CG1 4.31Å; F50-V92 HydrophobicContact CD2-CG2 4.34Å; F50-V92 HydrophobicContact CE1-CG2 4.47Å; F50-V92 HydrophobicContact CE2-CG1 3.56Å; F50-V92 HydrophobicContact CE2-CG2 4.28Å; F50-V92 HydrophobicContact CG-CG2 4.46Å; F50-V92 HydrophobicContact CZ-CG1 3.68Å; F50-V92 HydrophobicContact CZ-CG2 4.36Å; F50-V149 HydrophobicContact CB-CG1 4.02Å; F50-V149 HydrophobicContact CD1-CG1 3.77Å; F50-V149 HydrophobicContact CG-CG1 4.3Å; F50-V149 WeakPolarHBondContact O-CG1 3.32Å; F50-I150 HydrophobicContact CE1-CD1 4.4Å; F50-L153 HydrophobicContact CD1-CD1 4.27Å; F50-L153 HydrophobicContact CE1-CD1 4.14Å
51L97.1Very high96.8Very high107 Ų10757.8 Ų57.856%0.5630%0.298SS*.Hα-helixtrans-64.5-36.7175.8-71.6172.9000112.1A47 L48 F49 P55A47-L51 VanDerWaalsContact O-CG 3.32Å; A47-L51 WeakPolarHBondContact O-CG 3.31Å; A47-L51 PolarHBondContact O-N 2.94Å; L48-L51 PolarHBondContact O-N 3.44Å; F49-L51 VanDerWaalsContact C-N 3.32Å; F49-L51 PolarHBondContact O-N 3.38Å; L51-P55 WeakPolarHBondContact O-CD 3.28Å
52I97.9Very high96.6Very high83 Ų8355.9 Ų55.943%0.42629%0.291SS..Hα-helixtrans-70.4-40.1174-65164.6000111.1L48 F49 F50 W54 P55 I56 L88L48-I52 WeakPolarHBondContact O-CG1 3Å; L48-I52 PolarHBondContact O-N 3.31Å; F49-I52 PolarHBondContact O-N 2.87Å; F50-I52 VanDerWaalsContact C-N 3.33Å; F50-I52 PolarHBondContact O-N 3.46Å; I52-W54 VanDerWaalsContact C-N 3.28Å; I52-W54 PolarHBondContact O-N 3.38Å; I52-P55 VanDerWaalsContact O-CD 3.29Å; I52-P55 WeakPolarHBondContact O-CD 3.28Å; I52-P55 WeakPolarHBondContact O-CG 3.45Å; I52-I56 HydrophobicContact CG2-CD1 3.83Å; I52-I56 WeakPolarHBondContact O-CD1 3.36Å; I52-I56 WeakPolarHBondContact O-CG1 3.48Å; I52-L88 HydrophobicContact CG2-CD1 3.94Å; I52-L88 HydrophobicContact CG2-CD2 4.38Å
53M97.9Very high96.3Very high3 Ų358.1 Ų58.12%0.01532%0.324CS..Hα-helixtrans-63.7-33.9179.3-72.5169.480.700112.4F49 F50 I56 A57 I85 L88 S89 V92 L153F49-M53 WeakPolarHBondContact O-CB 3.35Å; F49-M53 WeakPolarHBondContact O-CG 3.43Å; F49-M53 PolarHBondContact O-N 3.35Å; F50-M53 HydrophobicContact CD1-SD 4.18Å; F50-M53 PolarHBondContact O-N 3.07Å; M53-I56 PolarHBondContact O-N 3.33Å; M53-A57 VanDerWaalsContact O-CB 3.23Å; M53-A57 WeakPolarHBondContact O-CB 3.43Å; M53-A57 PolarHBondContact O-N 3.49Å; M53-I85 HydrophobicContact CB-CD1 3.96Å; M53-I85 HydrophobicContact CE-CD1 4.37Å; M53-I85 HydrophobicContact CE-CG2 4.01Å; M53-I85 HydrophobicContact CG-CD1 3.99Å; M53-L88 HydrophobicContact CE-CB 4.43Å; M53-L88 HydrophobicContact CG-CB 3.49Å; M53-L88 VanDerWaalsContact CG-CB 3.49Å; M53-L88 HydrophobicContact CG-CD1 3.61Å; M53-L88 HydrophobicContact CG-CG 4.16Å; M53-L88 HydrophobicContact SD-CB 3.81Å; M53-S89 VanDerWaalsContact CE-OG 3.23Å; M53-S89 WeakPolarHBondContact CE-OG 3.17Å; M53-V92 HydrophobicContact SD-CG2 4.01Å; M53-L153 HydrophobicContact CB-CD2 4.31Å; M53-L153 HydrophobicContact CE-CD1 3.94Å; M53-L153 HydrophobicContact CE-CD2 3.76Å
54W97.5Very high96Very high115 Ų11556.6 Ų56.644%0.43631%0.314SS..Hα-helixtrans-56.5-56.8-176176.661.9000114.9F50 I52 I56 A57 R58 P148 V149F50-W54 PolarHBondContact O-N 2.81Å; I52-W54 VanDerWaalsContact C-N 3.28Å; I52-W54 PolarHBondContact O-N 3.38Å; W54-I56 VanDerWaalsContact C-N 3.33Å; W54-I56 PolarHBondContact O-N 3.34Å; W54-A57 PolarHBondContact O-N 3.05Å; W54-R58 WeakPolarHBondContact O-CG 3.37Å; W54-R58 PolarHBondContact O-N 2.98Å; W54-R58 VanDerWaalsContact O-N 3.14Å; W54-P148 VanDerWaalsContact CD1-O 3.32Å; W54-P148 PolarHBondContact NE1-O 2.96Å; W54-V149 HydrophobicContact CB-CG1 4.29Å; W54-V149 HydrophobicContact CB-CG2 4.14Å; W54-V149 HydrophobicContact CG-CG2 4.42Å
55P97.1Very high95.8Very high57 Ų5755.3 Ų55.337%0.3731%0.308SS..Hα-helixtrans-64.9-37.1177.825.6-34.4000112L51 I52 A57 R58 L59L51-P55 WeakPolarHBondContact O-CD 3.28Å; I52-P55 VanDerWaalsContact O-CD 3.29Å; I52-P55 WeakPolarHBondContact O-CD 3.28Å; I52-P55 WeakPolarHBondContact O-CG 3.45Å; P55-A57 VanDerWaalsContact C-N 3.33Å; P55-A57 PolarHBondContact O-N 2.91Å; P55-R58 PolarHBondContact O-N 3.41Å; P55-L59 WeakPolarHBondContact O-CB 3.15Å; P55-L59 VanDerWaalsContact O-CG 3.25Å; P55-L59 WeakPolarHBondContact O-CG 3.4Å; P55-L59 PolarHBondContact O-N 2.82Å
56I96.4Very high95.3Very high30 Ų3060 Ų6015%0.15433%0.328CS..Hα-helixtrans-61.7-43.7177.7-62.7172.6000110.7I52 M53 W54 R58 L59 R60 Y81 I84 I85 L88I52-I56 HydrophobicContact CG2-CD1 3.83Å; I52-I56 WeakPolarHBondContact O-CD1 3.36Å; I52-I56 WeakPolarHBondContact O-CG1 3.48Å; M53-I56 PolarHBondContact O-N 3.33Å; W54-I56 VanDerWaalsContact C-N 3.33Å; W54-I56 PolarHBondContact O-N 3.34Å; I56-R58 PolarHBondContact O-N 2.87Å; I56-L59 PolarHBondContact O-N 3.3Å; I56-R60 PolarHBondContact O-N 3.23Å; I56-Y81 HydrophobicContact CG2-CD1 3.75Å; I56-Y81 HydrophobicContact CG2-CE1 4.43Å; I56-I84 HydrophobicContact CD1-CG2 3.81Å; I56-I84 HydrophobicContact CG2-CG2 4.28Å; I56-I85 HydrophobicContact CB-CD1 4.13Å; I56-I85 HydrophobicContact CG2-CD1 3.79Å; I56-I85 HydrophobicContact CG2-CG1 4.04Å; I56-L88 HydrophobicContact CD1-CD1 3.79Å
57A95.9Very high95Very high1 Ų166.6 Ų66.61%0.00836%0.358CS..Hα-helixtrans-61.9-43.1177.700000111.7M53 W54 P55 R60 A152 L153 F156M53-A57 VanDerWaalsContact O-CB 3.23Å; M53-A57 WeakPolarHBondContact O-CB 3.43Å; M53-A57 PolarHBondContact O-N 3.49Å; W54-A57 PolarHBondContact O-N 3.05Å; P55-A57 VanDerWaalsContact C-N 3.33Å; P55-A57 PolarHBondContact O-N 2.91Å; A57-R60 WeakPolarHBondContact O-CB 3.29Å; A57-R60 PolarHBondContact O-N 3.03Å; A57-A152 HydrophobicContact CB-CB 3.99Å; A57-L153 HydrophobicContact CB-CD2 4.01Å; A57-F156 HydrophobicContact CB-CB 3.97Å; A57-F156 HydrophobicContact CB-CD2 4.35Å; A57-F156 HydrophobicContact CB-CG 4.44Å
58R95.3Very high94.7Very high110 Ų11069 Ų6942%0.41536%0.361SS..Hα-helixtrans-66-42.7175.8-69.1-65.6-166.7168.77.2112.6W54 P55 I56 R60 L61 A62 A152 E155W54-R58 WeakPolarHBondContact O-CG 3.37Å; W54-R58 PolarHBondContact O-N 2.98Å; W54-R58 VanDerWaalsContact O-N 3.14Å; P55-R58 PolarHBondContact O-N 3.41Å; I56-R58 PolarHBondContact O-N 2.87Å; R58-R60 PolarHBondContact O-N 2.79Å; R58-L61 PolarHBondContact O-N 3.4Å; R58-L61 VanDerWaalsContact O-N 3.12Å; R58-A62 PolarHBondContact O-N 2.98Å; R58-A152 HydrophobicContact CG-CB 4.13Å; R58-E155 IonicContact CZ-OE1 3.93Å; R58-E155 IonicContact CZ-OE2 3.65Å; R58-E155 VanDerWaalsContact NH1-CD 3.31Å; R58-E155 IonicContact NH1-OE1 3.07Å; R58-E155 PolarHBondContact NH1-OE1 3.36Å; R58-E155 IonicContact NH1-OE2 2.77Å; R58-E155 PolarHBondContact NH1-OE2 3.28Å
59L95.4Very high94.3Very high88 Ų8870.1 Ų70.146%0.46136%0.36SS..Hα-helixtrans-60.9-30.2179.7-76.2171.9000112.7P55 I56 L61 A62 R77 Y81P55-L59 WeakPolarHBondContact O-CB 3.15Å; P55-L59 VanDerWaalsContact O-CG 3.25Å; P55-L59 WeakPolarHBondContact O-CG 3.4Å; P55-L59 PolarHBondContact O-N 2.82Å; I56-L59 PolarHBondContact O-N 3.3Å; L59-L61 PolarHBondContact O-N 2.9Å; L59-A62 HydrophobicContact CD2-CB 4.47Å; L59-A62 PolarHBondContact O-N 3.06Å; L59-R77 PolarHBondContact O-NH1 3.19Å; L59-Y81 HydrophobicContact CB-CE1 4.16Å
60R94.3Very high93.8Very high13 Ų1370.5 Ų70.55%0.04937%0.373CS..Hα-helixtrans-55.9-38.5175.3180173.3179.8147.51.6112.5I56 A57 R58 V73 R77 Y81 F156I56-R60 PolarHBondContact O-N 3.23Å; A57-R60 WeakPolarHBondContact O-CB 3.29Å; A57-R60 PolarHBondContact O-N 3.03Å; R58-R60 PolarHBondContact O-N 2.79Å; R60-V73 HydrophobicContact CG-CG1 4.2Å; R60-R77 WeakPolarHBondContact O-CD 3.48Å; R60-R77 PolarHBondContact O-NH1 3.22Å; R60-Y81 HydrophobicContact CB-CD2 3.93Å; R60-Y81 HydrophobicContact CB-CG 4.33Å; R60-Y81 HydrophobicContact CG-CD2 4.27Å; R60-F156 HydrophobicContact CB-CD2 3.73Å; R60-F156 HydrophobicContact CB-CE2 4.13Å; R60-F156 HydrophobicContact CG-CD2 4.05Å; R60-F156 HydrophobicContact CG-CE2 4.27Å; R60-F156 VanDerWaalsContact NH1-CE1 3.34Å
61L91.7Very high93.6Very high11 Ų1174.3 Ų74.36%0.05839%0.386CS..Hα-helixtrans-104.1-4.5-178.4-57.6-176.6000113.7R58 L59 G63 L64 V73 E155R58-L61 PolarHBondContact O-N 3.4Å; R58-L61 VanDerWaalsContact O-N 3.12Å; L59-L61 PolarHBondContact O-N 2.9Å; L61-G63 PolarHBondContact O-N 2.78Å; L61-L64 HydrophobicContact CD2-CD1 4.04Å; L61-L64 WeakPolarHBondContact O-CB 3.44Å; L61-L64 PolarHBondContact O-N 3.17Å; L61-L64 VanDerWaalsContact O-N 3.14Å; L61-V73 HydrophobicContact CD2-CG2 3.63Å; L61-E155 HydrophobicContact CD1-CB 3.92Å
62A92.8Very high93.4Very high44 Ų4469.7 Ų69.736%0.36436%0.362SS..THydrogen-bonded Turntrans-59.2129.1-179.900000111.2R58 L59 L64 R77R58-A62 PolarHBondContact O-N 2.98Å; L59-A62 HydrophobicContact CD2-CB 4.47Å; L59-A62 PolarHBondContact O-N 3.06Å; A62-L64 VanDerWaalsContact C-N 3.32Å; A62-R77 PolarHBondContact O-NH1 2.89Å; A62-R77 VanDerWaalsContact O-NH1 3.1Å; A62-R77 PolarHBondContact O-NH2 3.31Å
63G90.6Very high93.2Very high78 Ų7866.2 Ų66.280%0.80434%0.344SS*.THydrogen-bonded Turntrans81-0.2-17900000115.8L61L61-G63 PolarHBondContact O-N 2.78Å
64L92.3Very high92.9Very high27 Ų2770.5 Ų70.514%0.14137%0.371CS..  trans-85.8137.6173.8-61.7-178000111.4L61 A62 E68 R69 V73L61-L64 HydrophobicContact CD2-CD1 4.04Å; L61-L64 WeakPolarHBondContact O-CB 3.44Å; L61-L64 PolarHBondContact O-N 3.17Å; L61-L64 VanDerWaalsContact O-N 3.14Å; A62-L64 VanDerWaalsContact C-N 3.32Å; L64-E68 VanDerWaalsContact CA-OE2 3.3Å; L64-E68 WeakPolarHBondContact CA-OE2 3.41Å; L64-E68 HydrophobicContact CB-CB 4.05Å; L64-E68 HydrophobicContact CD2-CB 4.25Å; L64-R69 HydrophobicContact CB-CG 3.95Å; L64-R69 PolarHBondContact O-NE 3.22Å; L64-R69 PolarHBondContact O-NH2 2.85Å; L64-V73 HydrophobicContact CD1-CG2 4.35Å
65S92.9Very high92.7Very high56 Ų5667.6 Ų67.639%0.39238%0.377SS..  trans-66.7166.8170.978.90000111.6E67 E68 R69S65-E67 VanDerWaalsContact C-N 3.28Å; S65-E67 PolarHBondContact O-N 3.37Å; S65-E67 PolarHBondContact OG-N 2.89Å; S65-E68 PolarHBondContact N-OE2 3.43Å; S65-E68 PolarHBondContact O-N 3.37Å; S65-E68 WeakPolarHBondContact OG-CG 3.24Å; S65-E68 PolarHBondContact OG-N 3.21Å; S65-R69 VanDerWaalsContact O-CG 3.26Å; S65-R69 WeakPolarHBondContact O-CG 3.46Å; S65-R69 PolarHBondContact O-N 2.95Å
66E88.3Confident92.6Very high173 Ų17371.9 Ų71.981%0.80839%0.386SS*.Hα-helixtrans-62.2-36.9176.2-65.2-161.8149.300112.4R69 A70E66-R69 PolarHBondContact O-N 3.35Å; E66-A70 WeakPolarHBondContact O-CB 3.43Å; E66-A70 PolarHBondContact O-N 2.7Å
67E89.9Confident92.6Very high145 Ų14572.4 Ų72.468%0.67839%0.386SS*.Hα-helixtrans-64.1-40.3176.2-64.2-176.6-177.100112.2S65 A70S65-E67 VanDerWaalsContact C-N 3.28Å; S65-E67 PolarHBondContact O-N 3.37Å; S65-E67 PolarHBondContact OG-N 2.89Å; E67-A70 WeakPolarHBondContact O-CB 3.17Å; E67-A70 PolarHBondContact O-N 3.12Å
68E90.6Very high92.4Very high96 Ų9677.3 Ų77.345%0.44940%0.404SS..Hα-helixtrans-68.9-38.6176.7-70176.7125.400111.5L64 S65 A70 R71L64-E68 VanDerWaalsContact CA-OE2 3.3Å; L64-E68 WeakPolarHBondContact CA-OE2 3.41Å; L64-E68 HydrophobicContact CB-CB 4.05Å; L64-E68 HydrophobicContact CD2-CB 4.25Å; S65-E68 PolarHBondContact N-OE2 3.43Å; S65-E68 PolarHBondContact O-N 3.37Å; S65-E68 WeakPolarHBondContact OG-CG 3.24Å; S65-E68 PolarHBondContact OG-N 3.21Å; E68-A70 PolarHBondContact O-N 3.19Å; E68-R71 PolarHBondContact O-N 3Å; E68-R71 VanDerWaalsContact O-N 3.1Å
69R89.5Confident92.5Very high112 Ų11281.8 Ų81.842%0.42342%0.421SS..Hα-helixtrans-66.4-26.9174.8-68.9173-169-155.72.9112.6L64 S65 E66 R71 Q158L64-R69 HydrophobicContact CB-CG 3.95Å; L64-R69 PolarHBondContact O-NE 3.22Å; L64-R69 PolarHBondContact O-NH2 2.85Å; S65-R69 VanDerWaalsContact O-CG 3.26Å; S65-R69 WeakPolarHBondContact O-CG 3.46Å; S65-R69 PolarHBondContact O-N 2.95Å; E66-R69 PolarHBondContact O-N 3.35Å; R69-R71 PolarHBondContact O-N 3.28Å; R69-Q158 PolarHBondContact O-NE2 3.34Å; R69-Q158 VanDerWaalsContact O-NE2 3.16Å
70A88.6Confident92.5Very high65 Ų6580.8 Ų80.854%0.53742%0.416SS..THydrogen-bonded Turntrans-73.2-8.3174.400000113.1E66 E67 E68 W187E66-A70 WeakPolarHBondContact O-CB 3.43Å; E66-A70 PolarHBondContact O-N 2.7Å; E67-A70 WeakPolarHBondContact O-CB 3.17Å; E67-A70 PolarHBondContact O-N 3.12Å; E68-A70 PolarHBondContact O-N 3.19Å; A70-W187 WeakPolarHBondContact O-CH2 3.45Å; A70-W187 WeakPolarHBondContact O-CZ2 3.38Å
71R93.3Very high92.7Very high147 Ų14781.8 Ų81.856%0.55542%0.42SS*.SBendtrans-107.7156176-62.7179.1-170.5178.24.8111.2E68 R69 V73 Q158E68-R71 PolarHBondContact O-N 3Å; E68-R71 VanDerWaalsContact O-N 3.1Å; R69-R71 PolarHBondContact O-N 3.28Å; R71-V73 PolarHBondContact O-N 3.24Å; R71-Q158 PolarHBondContact O-NE2 2.73Å
72P93.9Very high92.9Very high9 Ų982.5 Ų82.56%0.05842%0.423CS..  trans-56.2128.7174.2-17.326.4000111.5T74 Y186 W187P72-T74 PolarHBondContact O-N 2.85Å; P72-Y186 WeakPolarHBondContact CD-OH 3.43Å; P72-Y186 HydrophobicContact CG-CD1 3.81Å; P72-Y186 HydrophobicContact CG-CD2 4.36Å; P72-Y186 HydrophobicContact CG-CE1 3.6Å; P72-Y186 HydrophobicContact CG-CE2 4.17Å; P72-Y186 HydrophobicContact CG-CG 4.2Å; P72-Y186 VanDerWaalsContact CG-O 3.31Å; P72-Y186 WeakPolarHBondContact CG-O 3.39Å; P72-W187 HydrophobicContact CB-CD2 4.47Å; P72-W187 HydrophobicContact CB-CE3 4.11Å; P72-W187 HydrophobicContact CB-CZ3 4.24Å; P72-W187 HydrophobicContact CG-CD2 3.58Å; P72-W187 HydrophobicContact CG-CE3 3.7Å; P72-W187 HydrophobicContact CG-CG 4.03Å; P72-W187 HydrophobicContact CG-CH2 4.25Å; P72-W187 HydrophobicContact CG-CZ2 4.19Å; P72-W187 HydrophobicContact CG-CZ3 4.02Å
73V93.5Very high93.1Very high10 Ų1083.7 Ų83.76%0.06143%0.427CS..  trans-70.7118.3174.1175.20000109.2R60 L61 L64 R71 R77R60-V73 HydrophobicContact CG-CG1 4.2Å; L61-V73 HydrophobicContact CD2-CG2 3.63Å; L64-V73 HydrophobicContact CD1-CG2 4.35Å; R71-V73 PolarHBondContact O-N 3.24Å; V73-R77 HydrophobicContact CG1-CB 3.75Å
74T91.8Very high93.5Very high94 Ų9483 Ų8358%0.57740%0.404SS*.  trans-122.7-175.6-178.3570000111.5P72P72-T74 PolarHBondContact O-N 2.85Å
75G93.6Very high93.8Very high54 Ų5481.8 Ų81.856%0.55740%0.398SS*.Hα-helixtrans66.6-146.7175.500000114.6R77 R78 W79G75-R77 VanDerWaalsContact C-N 3.32Å; G75-R77 PolarHBondContact O-N 2.81Å; G75-R78 PolarHBondContact O-N 3.47Å; G75-W79 PolarHBondContact O-N 3.27Å
76W94.8Very high94Very high146 Ų14680.6 Ų80.655%0.55339%0.387SS*.Hα-helixtrans-61.6-35.1-172.872.9-95.7000113.2R78 W79 L80 Y81W76-R78 VanDerWaalsContact C-N 3.33Å; W76-R78 PolarHBondContact O-N 3.26Å; W76-W79 PolarHBondContact O-N 3.04Å; W76-L80 HydrophobicContact CE3-CD2 4.37Å; W76-L80 HydrophobicContact CZ3-CD2 4.24Å; W76-L80 VanDerWaalsContact O-CB 3.24Å; W76-L80 WeakPolarHBondContact O-CB 3.33Å; W76-L80 PolarHBondContact O-N 2.93Å; W76-Y81 HydrophobicContact CH2-CE2 4.41Å; W76-Y81 AromaticContact CZ3-CE2 3.89Å; W76-Y81 HydrophobicContact CZ3-CE2 3.89Å
77R94.8Very high94.5Very high42 Ų4278.4 Ų78.416%0.15838%0.38CS..Hα-helixtrans-61.9-42.7177.9-70.1177.9175.5-88.31.1110.9L59 R60 A62 V73 G75 Y81L59-R77 PolarHBondContact O-NH1 3.19Å; R60-R77 WeakPolarHBondContact O-CD 3.48Å; R60-R77 PolarHBondContact O-NH1 3.22Å; A62-R77 PolarHBondContact O-NH1 2.89Å; A62-R77 VanDerWaalsContact O-NH1 3.1Å; A62-R77 PolarHBondContact O-NH2 3.31Å; V73-R77 HydrophobicContact CG1-CB 3.75Å; G75-R77 VanDerWaalsContact C-N 3.32Å; G75-R77 PolarHBondContact O-N 2.81Å; R77-Y81 HydrophobicContact CB-CD2 4.35Å; R77-Y81 WeakPolarHBondContact O-CB 3.49Å; R77-Y81 WeakPolarHBondContact O-CD2 3.48Å; R77-Y81 PolarHBondContact O-N 3.5Å; R77-Y81 VanDerWaalsContact O-N 3.08Å
78R93.8Very high94.9Very high104 Ų10472.5 Ų72.539%0.39235%0.353SS..Hα-helixtrans-68.8-50.1175-179.5176.2177159-2.1110.6G75 W76 L80 H82G75-R78 PolarHBondContact O-N 3.47Å; W76-R78 VanDerWaalsContact C-N 3.33Å; W76-R78 PolarHBondContact O-N 3.26Å; R78-L80 VanDerWaalsContact C-N 3.29Å; R78-L80 PolarHBondContact O-N 3.16Å; R78-H82 HydrophobicContact CG-CB 4.26Å; R78-H82 WeakPolarHBondContact O-CB 3.34Å; R78-H82 PolarHBondContact O-N 2.86Å
79W95.8Very high95.2Very high204 Ų20468.9 Ų68.977%0.77334%0.338SS*.Hα-helixtrans-57.6-40.8-177.8173.982.5000112.7G75 W76 P83G75-W79 PolarHBondContact O-N 3.27Å; W76-W79 PolarHBondContact O-N 3.04Å; W79-P83 WeakPolarHBondContact O-CD 3.37Å; W79-P83 WeakPolarHBondContact O-CG 3.46Å
80L96.8Very high95.6Very high67 Ų6766.6 Ų66.635%0.35133%0.329SS..Hα-helixtrans-78.3-57179.9-178.762.6000112.4W76 R78 I84W76-L80 HydrophobicContact CE3-CD2 4.37Å; W76-L80 HydrophobicContact CZ3-CD2 4.24Å; W76-L80 VanDerWaalsContact O-CB 3.24Å; W76-L80 WeakPolarHBondContact O-CB 3.33Å; W76-L80 PolarHBondContact O-N 2.93Å; R78-L80 VanDerWaalsContact C-N 3.29Å; R78-L80 PolarHBondContact O-N 3.16Å; L80-I84 HydrophobicContact CD1-CD1 4.25Å; L80-I84 HydrophobicContact CG-CD1 4.45Å; L80-I84 VanDerWaalsContact O-CD1 3.3Å; L80-I84 WeakPolarHBondContact O-CD1 3.38Å; L80-I84 VanDerWaalsContact O-CG1 3.31Å; L80-I84 WeakPolarHBondContact O-CG1 3.21Å
81Y97.3Very high96.1Very high33 Ų3364.5 Ų64.513%0.12931%0.313CS..Hα-helixtrans-84.1-25.8-166.8-60.2-63.3000114I56 L59 R60 W76 R77 I84 I85I56-Y81 HydrophobicContact CG2-CD1 3.75Å; I56-Y81 HydrophobicContact CG2-CE1 4.43Å; L59-Y81 HydrophobicContact CB-CE1 4.16Å; R60-Y81 HydrophobicContact CB-CD2 3.93Å; R60-Y81 HydrophobicContact CB-CG 4.33Å; R60-Y81 HydrophobicContact CG-CD2 4.27Å; W76-Y81 HydrophobicContact CH2-CE2 4.41Å; W76-Y81 AromaticContact CZ3-CE2 3.89Å; W76-Y81 HydrophobicContact CZ3-CE2 3.89Å; R77-Y81 HydrophobicContact CB-CD2 4.35Å; R77-Y81 WeakPolarHBondContact O-CB 3.49Å; R77-Y81 WeakPolarHBondContact O-CD2 3.48Å; R77-Y81 PolarHBondContact O-N 3.5Å; R77-Y81 VanDerWaalsContact O-N 3.08Å; Y81-I84 PolarHBondContact O-N 3.25Å; Y81-I85 PolarHBondContact O-N 3.42Å
82H96.3Very high96.3Very high27 Ų2757.7 Ų57.713%0.12529%0.287CS..Hα-helixtrans-62-53.4179.9-169.486.8000114R78 I84 I85 L86 Q134R78-H82 HydrophobicContact CG-CB 4.26Å; R78-H82 WeakPolarHBondContact O-CB 3.34Å; R78-H82 PolarHBondContact O-N 2.86Å; H82-I84 VanDerWaalsContact C-N 3.26Å; H82-I84 PolarHBondContact O-N 3.32Å; H82-I85 PolarHBondContact O-N 2.95Å; H82-L86 WeakPolarHBondContact O-CB 3.36Å; H82-L86 PolarHBondContact O-N 3.43Å; H82-Q134 PolarHBondContact CE1-O 3.5Å; H82-Q134 PolarHBondContact NE2-O 3.09Å
83P97.8Very high96.5Very high69 Ų6958.3 Ų58.345%0.44829%0.289SS..Hα-helixtrans-63.5-33.1178.424.9-34.5000112.4W79 L86 L87W79-P83 WeakPolarHBondContact O-CD 3.37Å; W79-P83 WeakPolarHBondContact O-CG 3.46Å; P83-L86 PolarHBondContact O-N 2.89Å; P83-L87 WeakPolarHBondContact O-CB 3.24Å; P83-L87 PolarHBondContact O-N 3.09Å
84I98Very high96.6Very high62 Ų6263.3 Ų63.332%0.31831%0.31SS..Hα-helixtrans-64.4-51.9177.7-60173000110.7I56 L80 Y81 H82 L86 L87 L88I56-I84 HydrophobicContact CD1-CG2 3.81Å; I56-I84 HydrophobicContact CG2-CG2 4.28Å; L80-I84 HydrophobicContact CD1-CD1 4.25Å; L80-I84 HydrophobicContact CG-CD1 4.45Å; L80-I84 VanDerWaalsContact O-CD1 3.3Å; L80-I84 WeakPolarHBondContact O-CD1 3.38Å; L80-I84 VanDerWaalsContact O-CG1 3.31Å; L80-I84 WeakPolarHBondContact O-CG1 3.21Å; Y81-I84 PolarHBondContact O-N 3.25Å; H82-I84 VanDerWaalsContact C-N 3.26Å; H82-I84 PolarHBondContact O-N 3.32Å; I84-L86 VanDerWaalsContact C-N 3.28Å; I84-L86 PolarHBondContact O-N 3.3Å; I84-L87 PolarHBondContact O-N 2.84Å; I84-L88 HydrophobicContact CG2-CD1 3.79Å; I84-L88 HydrophobicContact CG2-CG 4.35Å; I84-L88 WeakPolarHBondContact O-CB 3.43Å; I84-L88 VanDerWaalsContact O-CG 3.31Å; I84-L88 WeakPolarHBondContact O-CG 3.33Å; I84-L88 PolarHBondContact O-N 2.6Å
85I97.9Very high96.9Very high3 Ų359.4 Ų59.42%0.01529%0.286CS..Hα-helixtrans-64.7-34.7177.6-68.8-60.1000111.3M53 I56 Y81 H82 S89 L135 L153 F156M53-I85 HydrophobicContact CB-CD1 3.96Å; M53-I85 HydrophobicContact CE-CD1 4.37Å; M53-I85 HydrophobicContact CE-CG2 4.01Å; M53-I85 HydrophobicContact CG-CD1 3.99Å; I56-I85 HydrophobicContact CB-CD1 4.13Å; I56-I85 HydrophobicContact CG2-CD1 3.79Å; I56-I85 HydrophobicContact CG2-CG1 4.04Å; Y81-I85 PolarHBondContact O-N 3.42Å; H82-I85 PolarHBondContact O-N 2.95Å; I85-S89 VanDerWaalsContact O-CB 3.24Å; I85-S89 WeakPolarHBondContact O-CB 3.33Å; I85-S89 PolarHBondContact O-N 3.34Å; I85-S89 PolarHBondContact O-OG 2.94Å; I85-L135 HydrophobicContact CB-CD1 4.21Å; I85-L135 HydrophobicContact CG2-CD1 3.75Å; I85-L153 HydrophobicContact CD1-CD2 4.29Å; I85-L153 HydrophobicContact CG2-CD2 4.25Å; I85-F156 HydrophobicContact CB-CE1 3.83Å; I85-F156 HydrophobicContact CB-CE2 4.08Å; I85-F156 HydrophobicContact CB-CZ 3.49Å; I85-F156 VanDerWaalsContact CB-CZ 3.49Å; I85-F156 HydrophobicContact CG1-CD2 4.04Å; I85-F156 HydrophobicContact CG1-CE1 4.01Å; I85-F156 HydrophobicContact CG1-CE2 3.42Å; I85-F156 VanDerWaalsContact CG1-CE2 3.42Å; I85-F156 HydrophobicContact CG1-CZ 3.4Å; I85-F156 HydrophobicContact CG2-CD1 4.17Å; I85-F156 HydrophobicContact CG2-CE1 3.67Å; I85-F156 HydrophobicContact CG2-CZ 3.9Å
86L98Very high97Very high31 Ų3157.9 Ų57.916%0.16227%0.266CS..Hα-helixtrans-62.7-47.6175.617864.3000111.2H82 P83 I84 S89 R90 C131 L135H82-L86 WeakPolarHBondContact O-CB 3.36Å; H82-L86 PolarHBondContact O-N 3.43Å; P83-L86 PolarHBondContact O-N 2.89Å; I84-L86 VanDerWaalsContact C-N 3.28Å; I84-L86 PolarHBondContact O-N 3.3Å; L86-S89 PolarHBondContact O-N 3.28Å; L86-R90 WeakPolarHBondContact O-CB 3.41Å; L86-R90 PolarHBondContact O-N 3.07Å; L86-C131 HydrophobicContact CD1-CB 4.21Å; L86-L135 HydrophobicContact CB-CD1 4.1Å; L86-L135 HydrophobicContact CB-CG 4.34Å; L86-L135 HydrophobicContact CD1-CD2 4.04Å; L86-L135 HydrophobicContact CD1-CG 4.05Å
87L98.3Very high97.1Very high126 Ų12651 Ų5166%0.6624%0.239SC*.Hα-helixtrans-62.9-46.9177.4-178.366.6000111.5P83 I84 R90 A91P83-L87 WeakPolarHBondContact O-CB 3.24Å; P83-L87 PolarHBondContact O-N 3.09Å; I84-L87 PolarHBondContact O-N 2.84Å; L87-R90 WeakPolarHBondContact O-CB 3.39Å; L87-R90 PolarHBondContact O-N 3.42Å; L87-A91 WeakPolarHBondContact O-CB 3.43Å; L87-A91 PolarHBondContact O-N 3.01Å
88L98.3Very high97.1Very high22 Ų2249 Ų4912%0.11523%0.232CC..Hα-helixtrans-64.6-39.7178.1-68.3172.2000111.8F49 I52 M53 I56 I84 R90 A91 V92F49-L88 HydrophobicContact CD1-CD2 3.83Å; F49-L88 HydrophobicContact CE1-CD2 4.43Å; I52-L88 HydrophobicContact CG2-CD1 3.94Å; I52-L88 HydrophobicContact CG2-CD2 4.38Å; M53-L88 HydrophobicContact CE-CB 4.43Å; M53-L88 HydrophobicContact CG-CB 3.49Å; M53-L88 VanDerWaalsContact CG-CB 3.49Å; M53-L88 HydrophobicContact CG-CD1 3.61Å; M53-L88 HydrophobicContact CG-CG 4.16Å; M53-L88 HydrophobicContact SD-CB 3.81Å; I56-L88 HydrophobicContact CD1-CD1 3.79Å; I84-L88 HydrophobicContact CG2-CD1 3.79Å; I84-L88 HydrophobicContact CG2-CG 4.35Å; I84-L88 WeakPolarHBondContact O-CB 3.43Å; I84-L88 VanDerWaalsContact O-CG 3.31Å; I84-L88 WeakPolarHBondContact O-CG 3.33Å; I84-L88 PolarHBondContact O-N 2.6Å; L88-R90 VanDerWaalsContact C-N 3.33Å; L88-R90 PolarHBondContact O-N 2.8Å; L88-A91 WeakPolarHBondContact O-CB 3.46Å; L88-A91 PolarHBondContact O-N 3.19Å; L88-A91 VanDerWaalsContact O-N 3.16Å; L88-V92 WeakPolarHBondContact O-CG2 3.2Å; L88-V92 PolarHBondContact O-N 3.01Å
89S97.8Very high97.1Very high19 Ų1946.6 Ų46.613%0.13323%0.226CC..Hα-helixtrans-59.8-46.1173-58.20000110.4M53 I85 L86 A91 V92 F93M53-S89 VanDerWaalsContact CE-OG 3.23Å; M53-S89 WeakPolarHBondContact CE-OG 3.17Å; I85-S89 VanDerWaalsContact O-CB 3.24Å; I85-S89 WeakPolarHBondContact O-CB 3.33Å; I85-S89 PolarHBondContact O-N 3.34Å; I85-S89 PolarHBondContact O-OG 2.94Å; L86-S89 PolarHBondContact O-N 3.28Å; S89-A91 VanDerWaalsContact C-N 3.27Å; S89-A91 PolarHBondContact O-N 3.46Å; S89-V92 PolarHBondContact O-N 3.41Å; S89-F93 VanDerWaalsContact O-CD2 3.26Å; S89-F93 WeakPolarHBondContact O-CD2 3.31Å; S89-F93 PolarHBondContact O-N 2.99Å
90R97.8Very high97Very high64 Ų6445.3 Ų45.324%0.24222%0.222CC..Hα-helixtrans-61.8-37.4176.2-179.362.8-171.999-6.7111.8L86 L87 L88 F93 F94 F98 L99L86-R90 WeakPolarHBondContact O-CB 3.41Å; L86-R90 PolarHBondContact O-N 3.07Å; L87-R90 WeakPolarHBondContact O-CB 3.39Å; L87-R90 PolarHBondContact O-N 3.42Å; L88-R90 VanDerWaalsContact C-N 3.33Å; L88-R90 PolarHBondContact O-N 2.8Å; R90-F93 PolarHBondContact O-N 3.37Å; R90-F94 VanDerWaalsContact O-CB 3.28Å; R90-F94 WeakPolarHBondContact O-CB 3.45Å; R90-F94 PolarHBondContact O-N 2.84Å; R90-F98 PolarHBondContact NH1-O 3.3Å; R90-F98 PolarHBondContact NH2-O 3.31Å; R90-L99 PolarHBondContact NH2-O 3.44Å
91A98.3Very high97Very high22 Ų2243.9 Ų43.918%0.18222%0.216CC..Hα-helixtrans-67.4-39.9177.500000112.7F49 L87 L88 S89 F94 S95F49-A91 HydrophobicContact CD1-CB 4.28Å; F49-A91 HydrophobicContact CD2-CB 3.98Å; F49-A91 HydrophobicContact CE1-CB 4.09Å; F49-A91 HydrophobicContact CE2-CB 3.77Å; F49-A91 HydrophobicContact CG-CB 4.24Å; F49-A91 HydrophobicContact CZ-CB 3.84Å; L87-A91 WeakPolarHBondContact O-CB 3.43Å; L87-A91 PolarHBondContact O-N 3.01Å; L88-A91 WeakPolarHBondContact O-CB 3.46Å; L88-A91 PolarHBondContact O-N 3.19Å; L88-A91 VanDerWaalsContact O-N 3.16Å; S89-A91 VanDerWaalsContact C-N 3.27Å; S89-A91 PolarHBondContact O-N 3.46Å; A91-F94 WeakPolarHBondContact O-CB 3.42Å; A91-F94 PolarHBondContact O-N 3.47Å; A91-S95 PolarHBondContact O-N 2.91Å
92V98Very high97Very high3 Ų348.4 Ų48.42%0.01824%0.236CC..Hα-helixtrans-56.4-51.2171.61680000110.7A46 F49 F50 M53 L88 S89 F94 S95 L96A46-V92 HydrophobicContact CB-CG1 4.28Å; F49-V92 HydrophobicContact CB-CG2 3.52Å; F49-V92 HydrophobicContact CG-CG2 4.42Å; F50-V92 HydrophobicContact CD2-CG1 4.31Å; F50-V92 HydrophobicContact CD2-CG2 4.34Å; F50-V92 HydrophobicContact CE1-CG2 4.47Å; F50-V92 HydrophobicContact CE2-CG1 3.56Å; F50-V92 HydrophobicContact CE2-CG2 4.28Å; F50-V92 HydrophobicContact CG-CG2 4.46Å; F50-V92 HydrophobicContact CZ-CG1 3.68Å; F50-V92 HydrophobicContact CZ-CG2 4.36Å; M53-V92 HydrophobicContact SD-CG2 4.01Å; L88-V92 WeakPolarHBondContact O-CG2 3.2Å; L88-V92 PolarHBondContact O-N 3.01Å; S89-V92 PolarHBondContact O-N 3.41Å; V92-F94 VanDerWaalsContact C-N 3.35Å; V92-F94 PolarHBondContact O-N 3.27Å; V92-S95 PolarHBondContact O-N 3.14Å; V92-S95 PolarHBondContact O-OG 2.98Å; V92-L96 HydrophobicContact CG1-CD1 4.46Å; V92-L96 WeakPolarHBondContact O-CG 3.15Å; V92-L96 PolarHBondContact O-N 3.22Å; V92-L96 VanDerWaalsContact O-N 3.11Å
93F97.5Very high97.1Very high23 Ų2350.7 Ų50.710%0.10125%0.252CS..Hα-helixtrans-71-33.4-179.6-74.7-76.2000112.3S89 R90 S95 L96 G97 F98 L125 M127 L128S89-F93 VanDerWaalsContact O-CD2 3.26Å; S89-F93 WeakPolarHBondContact O-CD2 3.31Å; S89-F93 PolarHBondContact O-N 2.99Å; R90-F93 PolarHBondContact O-N 3.37Å; F93-S95 VanDerWaalsContact C-N 3.34Å; F93-L96 PolarHBondContact O-N 3.31Å; F93-G97 PolarHBondContact O-N 3.11Å; F93-F98 HydrophobicContact CB-CB 4.17Å; F93-F98 HydrophobicContact CB-CD2 4.38Å; F93-F98 HydrophobicContact CD1-CD2 4.05Å; F93-F98 HydrophobicContact CD1-CE2 4.32Å; F93-F98 VanDerWaalsContact O-CB 3.31Å; F93-F98 WeakPolarHBondContact O-CB 3.33Å; F93-F98 PolarHBondContact O-N 3.37Å; F93-L125 HydrophobicContact CD1-CD2 4.41Å; F93-L125 HydrophobicContact CE1-CD2 3.96Å; F93-M127 HydrophobicContact CZ-CB 4.22Å; F93-L128 HydrophobicContact CB-CD1 3.63Å; F93-L128 HydrophobicContact CB-CD2 4.13Å; F93-L128 HydrophobicContact CB-CG 4.34Å; F93-L128 HydrophobicContact CD1-CB 3.79Å; F93-L128 HydrophobicContact CD1-CD1 4.37Å; F93-L128 HydrophobicContact CD1-CD2 4.26Å; F93-L128 HydrophobicContact CD1-CG 4.36Å; F93-L128 HydrophobicContact CD2-CB 4.03Å; F93-L128 HydrophobicContact CD2-CD1 3.71Å; F93-L128 HydrophobicContact CD2-CG 4.4Å; F93-L128 HydrophobicContact CE1-CB 3.83Å; F93-L128 HydrophobicContact CE2-CB 4.09Å; F93-L128 HydrophobicContact CE2-CD1 4.48Å; F93-L128 HydrophobicContact CG-CB 3.9Å; F93-L128 HydrophobicContact CG-CD1 3.66Å; F93-L128 HydrophobicContact CG-CD2 4.24Å; F93-L128 HydrophobicContact CG-CG 4.13Å; F93-L128 HydrophobicContact CZ-CB 3.99Å; F93-L128 VanDerWaalsContact CZ-N 3.34Å
94F97.3Very high97.1Very high115 Ų11551.3 Ų51.350%0.50425%0.248SC..Hα-helixtrans-59.4-45.9172.4-173.2-92.3000111.1R90 A91 V92 L96 G97 L99R90-F94 VanDerWaalsContact O-CB 3.28Å; R90-F94 WeakPolarHBondContact O-CB 3.45Å; R90-F94 PolarHBondContact O-N 2.84Å; A91-F94 WeakPolarHBondContact O-CB 3.42Å; A91-F94 PolarHBondContact O-N 3.47Å; V92-F94 VanDerWaalsContact C-N 3.35Å; V92-F94 PolarHBondContact O-N 3.27Å; F94-L96 VanDerWaalsContact C-N 3.3Å; F94-L96 PolarHBondContact O-N 3.08Å; F94-G97 PolarHBondContact O-N 3.46Å; F94-L99 HydrophobicContact CD2-CD2 3.86Å; F94-L99 HydrophobicContact CE1-CD2 4.26Å; F94-L99 HydrophobicContact CE2-CD2 3.55Å; F94-L99 HydrophobicContact CG-CD2 4.35Å; F94-L99 HydrophobicContact CZ-CD2 3.77Å
95S97Very high97.1Very high11 Ų1151.1 Ų51.18%0.07726%0.261CS..Hα-helixtrans-63.9-36.3177.873.80000111.5R42 A46 A91 V92 F93 G97R42-S95 WeakPolarHBondContact CB-O 3.48Å; R42-S95 WeakPolarHBondContact CD-O 3.41Å; R42-S95 WeakPolarHBondContact CG-O 3.37Å; R42-S95 PolarHBondContact NE-O 3Å; R42-S95 PolarHBondContact O-OG 3.18Å; A46-S95 WeakPolarHBondContact CB-OG 3.29Å; A46-S95 PolarHBondContact N-OG 3.36Å; A91-S95 PolarHBondContact O-N 2.91Å; V92-S95 PolarHBondContact O-N 3.14Å; V92-S95 PolarHBondContact O-OG 2.98Å; F93-S95 VanDerWaalsContact C-N 3.34Å; S95-G97 PolarHBondContact O-N 2.99Å; S95-G97 VanDerWaalsContact O-N 3.12Å
96L96.3Very high97Very high23 Ų2357.8 Ų57.812%0.1229%0.286CS..THydrogen-bonded Turntrans-69.9-1.8173.6-66.2177.9000114.5A46 V92 F93 F94 F98 L125A46-L96 HydrophobicContact CB-CD2 4.13Å; A46-L96 HydrophobicContact CB-CG 4.28Å; V92-L96 HydrophobicContact CG1-CD1 4.46Å; V92-L96 WeakPolarHBondContact O-CG 3.15Å; V92-L96 PolarHBondContact O-N 3.22Å; V92-L96 VanDerWaalsContact O-N 3.11Å; F93-L96 PolarHBondContact O-N 3.31Å; F94-L96 VanDerWaalsContact C-N 3.3Å; F94-L96 PolarHBondContact O-N 3.08Å; L96-F98 HydrophobicContact CB-CD2 4.28Å; L96-L125 HydrophobicContact CD1-CD2 4.05Å
97G95.4Very high97Very high0 Ų060 Ų600%029%0.292CS..THydrogen-bonded Turntrans100.64.5176.100000114.6F93 F94 S95 L99 Y253 T254F93-G97 PolarHBondContact O-N 3.11Å; F94-G97 PolarHBondContact O-N 3.46Å; S95-G97 PolarHBondContact O-N 2.99Å; S95-G97 VanDerWaalsContact O-N 3.12Å; G97-L99 PolarHBondContact O-N 3.39Å; G97-Y253 CarbonylContact O-C 3.57Å; G97-Y253 VanDerWaalsContact O-CA 3.32Å; G97-Y253 WeakPolarHBondContact O-CA 3.39Å; G97-T254 PolarHBondContact O-N 2.79Å
98F96.5Very high96.9Very high0 Ų054 Ų540%026%0.26CS..  trans-77.774.6172.8-66.9-93.2000111R90 F93 L96 L125 L128 Y225 V232 T248 T254 M256R90-F98 PolarHBondContact NH1-O 3.3Å; R90-F98 PolarHBondContact NH2-O 3.31Å; F93-F98 HydrophobicContact CB-CB 4.17Å; F93-F98 HydrophobicContact CB-CD2 4.38Å; F93-F98 HydrophobicContact CD1-CD2 4.05Å; F93-F98 HydrophobicContact CD1-CE2 4.32Å; F93-F98 VanDerWaalsContact O-CB 3.31Å; F93-F98 WeakPolarHBondContact O-CB 3.33Å; F93-F98 PolarHBondContact O-N 3.37Å; L96-F98 HydrophobicContact CB-CD2 4.28Å; F98-L125 HydrophobicContact CE2-CB 4.38Å; F98-L125 HydrophobicContact CE2-CD1 4.02Å; F98-L125 HydrophobicContact CE2-CD2 4.02Å; F98-L125 HydrophobicContact CE2-CG 4.36Å; F98-L125 HydrophobicContact CZ-CB 4.02Å; F98-L125 HydrophobicContact CZ-CD1 3.9Å; F98-L125 HydrophobicContact CZ-CD2 4.47Å; F98-L125 HydrophobicContact CZ-CG 4.35Å; F98-L128 HydrophobicContact CB-CD2 3.59Å; F98-L128 HydrophobicContact CD1-CD2 3.5Å; F98-L128 VanDerWaalsContact CD1-CD2 3.5Å; F98-L128 HydrophobicContact CD2-CD2 4.41Å; F98-L128 HydrophobicContact CE1-CD2 4.26Å; F98-L128 HydrophobicContact CG-CD2 3.58Å; F98-Y225 HydrophobicContact CE1-CD1 4.46Å; F98-Y225 AromaticContact CE1-CE1 3.99Å; F98-Y225 HydrophobicContact CE1-CE1 3.99Å; F98-V232 HydrophobicContact CE1-CG2 4.49Å; F98-V232 HydrophobicContact CZ-CG2 4.17Å; F98-T248 HydrophobicContact CE2-CG2 3.95Å; F98-T248 HydrophobicContact CZ-CG2 4.09Å; F98-T254 WeakPolarHBondContact CA-O 3.35Å; F98-T254 HydrophobicContact CD1-CG2 3.89Å; F98-T254 HydrophobicContact CE1-CG2 3.37Å; F98-T254 HydrophobicContact CZ-CG2 3.75Å; F98-M256 HydrophobicContact CD1-CB 4.41Å
99L93.7Very high96.7Very high54 Ų5457.5 Ų57.528%0.28328%0.279SS..  trans-72.7-39.1-176.6-54.6-172.2000111.2R90 F94 G97R90-L99 PolarHBondContact NH2-O 3.44Å; F94-L99 HydrophobicContact CD2-CD2 3.86Å; F94-L99 HydrophobicContact CE1-CD2 4.26Å; F94-L99 HydrophobicContact CE2-CD2 3.55Å; F94-L99 HydrophobicContact CG-CD2 4.35Å; F94-L99 HydrophobicContact CZ-CD2 3.77Å; G97-L99 PolarHBondContact O-N 3.39Å
100W92.9Very high96.5Very high177 Ų17759 Ų5967%0.6729%0.286SS*.EExtended strand (participates in β ladder)trans-121.1121.5-173.9-53.698000111.9M256W100-M256 PolarHBondContact O-N 3.45Å; W100-M256 VanDerWaalsContact O-N 3.16Å
101V96.3Very high96.3Very high38 Ų3865.2 Ų65.223%0.2331%0.314CS..EExtended strand (participates in β ladder)trans-114.2102170.3-175.70000107.5L128 M256 V258V101-L128 HydrophobicContact CG2-CD1 4.2Å; V101-L128 HydrophobicContact CG2-CD2 3.82Å; V101-L128 HydrophobicContact CG2-CG 4.15Å; V101-M256 CarbonylContact C-O 3.51Å; V101-M256 WeakPolarHBondContact CA-O 3.29Å; V101-V258 HydrophobicContact CG1-CG2 4.14Å
102K97.8Very high96.1Very high128 Ų12867.7 Ų67.756%0.55732%0.322SS*.EExtended strand (participates in β ladder)trans-82.4119.6178.4-175.4172.7-175.6169.80109M256 T257 V258K102-M256 PolarHBondContact N-O 2.89Å; K102-T257 HydrophobicContact CB-CG2 4.33Å; K102-T257 HydrophobicContact CG-CG2 4.45Å; K102-T257 CarbonylContact O-C 3.6Å; K102-T257 VanDerWaalsContact O-CA 3.27Å; K102-T257 WeakPolarHBondContact O-CA 3.1Å; K102-V258 PolarHBondContact O-N 3Å
103V98.1Very high96.1Very high75 Ų7567.5 Ų67.546%0.45532%0.321SS..EExtended strand (participates in β ladder)trans-97.9130.4173.71790000109.4P132 V258 Y260V103-P132 HydrophobicContact CG2-CB 4.01Å; V103-V258 CarbonylContact C-O 3.59Å; V103-V258 WeakPolarHBondContact CA-O 3.29Å; V103-Y260 HydrophobicContact CG1-CD2 3.9Å; V103-Y260 HydrophobicContact CG1-CE2 3.62Å
104K98.3Very high96.1Very high82 Ų8267.3 Ų67.336%0.35732%0.322SS..EExtended strand (participates in β ladder)trans-120.5145.5172.2-64.5-177.8178.1-176.90109.8T257 V258 E259 Y260K104-T257 HydrophobicContact CD-CG2 4.08Å; K104-T257 HydrophobicContact CG-CG2 4.18Å; K104-V258 PolarHBondContact N-O 3.03Å; K104-E259 HydrophobicContact CB-CB 4.08Å; K104-E259 HydrophobicContact CB-CG 4.21Å; K104-E259 HydrophobicContact CD-CB 4.39Å; K104-E259 HydrophobicContact CD-CG 4.42Å; K104-E259 IonicContact NZ-OE1 3.55Å; K104-E259 WeakPolarHBondContact O-CA 3.25Å; K104-Y260 WeakPolarHBondContact O-CD2 3.35Å; K104-Y260 PolarHBondContact O-N 3.08Å
105G97.1Very high96.1Very high58 Ų5861.9 Ų61.960%0.59830%0.298SS*.SBendtrans74.3177.5-177.800000112.8
106R96.6Very high96.2Very high142 Ų14261.3 Ų61.354%0.53630%0.295SS..PPolyproline II helixtrans-101.2128.7179.4-175.8-175.868.387.1-7.7109.4A108 E112 Q219 Y260R106-A108 PolarHBondContact O-N 3.06Å; R106-E112 IonicContact CZ-OE1 2.82Å; R106-E112 IonicContact CZ-OE2 3.03Å; R106-E112 IonicContact NH1-OE1 2.81Å; R106-E112 IonicContact NH1-OE2 3.01Å; R106-E112 PolarHBondContact NH1-OE2 3.31Å; R106-E112 VanDerWaalsContact NH2-CD 3.27Å; R106-E112 IonicContact NH2-OE1 3.29Å; R106-E112 PolarHBondContact NH2-OE1 2.93Å; R106-E112 IonicContact NH2-OE2 3.46Å; R106-E112 PolarHBondContact NH2-OE2 3.44Å; R106-Q219 PolarHBondContact O-NE2 3.27Å; R106-Y260 WeakPolarHBondContact O-CB 3.26Å
107R97.1Very high96.3Very high77 Ų7760.2 Ų60.229%0.29129%0.289SS..PPolyproline II helixtrans-67.6126.7166.7-170.3-172.574.9-175.811.2109.3P132 T133 Y260R107-P132 PolarHBondContact NH1-O 2.99Å; R107-P132 VanDerWaalsContact NH1-O 3.16Å; R107-T133 VanDerWaalsContact NH1-C 3.27Å; R107-T133 PolarHBondContact NH1-O 3.5Å; R107-Y260 HydrophobicContact CB-CD1 4.12Å; R107-Y260 HydrophobicContact CB-CD2 4.32Å; R107-Y260 HydrophobicContact CB-CE1 3.87Å; R107-Y260 HydrophobicContact CB-CE2 4.05Å; R107-Y260 HydrophobicContact CB-CG 4.36Å; R107-Y260 HydrophobicContact CG-CD1 4.16Å; R107-Y260 HydrophobicContact CG-CE1 3.66Å
108A96.8Very high96.4Very high0 Ų060.2 Ų60.20%029%0.289CS..PPolyproline II helixtrans-66144.317500000110.6R106 E112 A113 Q189 Q219 V263R106-A108 PolarHBondContact O-N 3.06Å; A108-E112 WeakPolarHBondContact CA-OE2 3.27Å; A108-E112 HydrophobicContact CB-CB 4.13Å; A108-A113 HydrophobicContact CB-CB 3.98Å; A108-Q189 PolarHBondContact O-NE2 2.94Å; A108-Q219 HydrophobicContact CB-CB 4.26Å; A108-Q219 HydrophobicContact CB-CG 4.37Å; A108-Q219 VanDerWaalsContact CB-OE1 3.26Å; A108-V263 HydrophobicContact CB-CG2 3.48Å; A108-V263 VanDerWaalsContact CB-CG2 3.48Å
109D94.6Very high96.5Very high96 Ų9660.2 Ų60.251%0.51329%0.289SS..PPolyproline II helixtrans-71.2159.1171.5-75.1-40.2000110.7K111 E112 A113D109-K111 PolarHBondContact O-N 2.89Å; D109-K111 VanDerWaalsContact O-N 3.08Å; D109-E112 HydrophobicContact CB-CG 4.38Å; D109-E112 PolarHBondContact N-OE2 2.93Å; D109-E112 WeakPolarHBondContact O-CB 3.41Å; D109-E112 PolarHBondContact O-N 2.89Å; D109-A113 PolarHBondContact O-N 3.41Å
110L93.8Very high96.7Very high51 Ų5157.9 Ų57.927%0.26728%0.277SS..THydrogen-bonded Turntrans-53-33.2179.6176.358.1000113.4A113 P114 G185 W187 Q189L110-A113 CarbonylContact O-C 3.46Å; L110-P114 HydrophobicContact CD1-CB 4.37Å; L110-G185 WeakPolarHBondContact CD2-O 3.41Å; L110-W187 WeakPolarHBondContact CD2-O 3.4Å; L110-Q189 HydrophobicContact CD1-CB 4Å
111K92.3Very high96.9Very high194 Ų19450.9 Ų50.984%0.84325%0.252SS*.THydrogen-bonded Turntrans-76.2-27.4178.8-64.3-177.3-179.1179.40113D109D109-K111 PolarHBondContact O-N 2.89Å; D109-K111 VanDerWaalsContact O-N 3.08Å
112E95.6Very high96.8Very high74 Ų7449.1 Ų49.135%0.34624%0.241SC..THydrogen-bonded Turntrans-82.7-42.4179.6-61.2177.612400110.7R106 A108 D109 P217 V263R106-E112 IonicContact CZ-OE1 2.82Å; R106-E112 IonicContact CZ-OE2 3.03Å; R106-E112 IonicContact NH1-OE1 2.81Å; R106-E112 IonicContact NH1-OE2 3.01Å; R106-E112 PolarHBondContact NH1-OE2 3.31Å; R106-E112 VanDerWaalsContact NH2-CD 3.27Å; R106-E112 IonicContact NH2-OE1 3.29Å; R106-E112 PolarHBondContact NH2-OE1 2.93Å; R106-E112 IonicContact NH2-OE2 3.46Å; R106-E112 PolarHBondContact NH2-OE2 3.44Å; A108-E112 WeakPolarHBondContact CA-OE2 3.27Å; A108-E112 HydrophobicContact CB-CB 4.13Å; D109-E112 HydrophobicContact CB-CG 4.38Å; D109-E112 PolarHBondContact N-OE2 2.93Å; D109-E112 WeakPolarHBondContact O-CB 3.41Å; D109-E112 PolarHBondContact O-N 2.89Å; E112-P217 WeakPolarHBondContact O-CB 3.4Å; E112-V263 HydrophobicContact CB-CG2 4.35Å
113A96.9Very high96.6Very high0 Ų043 Ų430%021%0.214CC..  trans-145.8106.9176.400000110.4A108 D109 L110 V115 Q189 Q219 V263A108-A113 HydrophobicContact CB-CB 3.98Å; D109-A113 PolarHBondContact O-N 3.41Å; L110-A113 CarbonylContact O-C 3.46Å; A113-V115 PolarHBondContact O-N 2.99Å; A113-Q189 PolarHBondContact O-NE2 3.37Å; A113-Q219 HydrophobicContact CB-CB 3.89Å; A113-V263 HydrophobicContact CB-CG1 4.11Å; A113-V263 HydrophobicContact CB-CG2 4.14Å
114P97.2Very high96.3Very high19 Ų1942.7 Ų42.712%0.12321%0.207CC..SBendtrans-69.6-13.5177.627.4-36.9000114.2L110 L181 Q189 M190 V216 P217L110-P114 HydrophobicContact CD1-CB 4.37Å; P114-L181 HydrophobicContact CB-CD2 4.35Å; P114-Q189 WeakPolarHBondContact O-CA 3.49Å; P114-Q189 WeakPolarHBondContact O-CG 3.45Å; P114-M190 PolarHBondContact O-N 3.28Å; P114-V216 HydrophobicContact CG-CB 3.84Å; P114-V216 HydrophobicContact CG-CG1 4.44Å; P114-V216 HydrophobicContact CG-CG2 3.61Å; P114-P217 WeakPolarHBondContact CD-O 3.32Å
115V97.6Very high96.2Very high0 Ų039 Ų390%019%0.191CC..EExtended strand (participates in β ladder)trans-130.3135.9-179.759.90000112A113 V117 L181 M190 M192 V216 V218 Q219A113-V115 PolarHBondContact O-N 2.99Å; V115-V117 HydrophobicContact CG2-CG1 4.17Å; V115-L181 HydrophobicContact CB-CD2 3.83Å; V115-M190 CarbonylContact C-O 3.52Å; V115-M190 WeakPolarHBondContact CA-O 3.5Å; V115-M192 HydrophobicContact CG2-CE 3.87Å; V115-V216 HydrophobicContact CG1-CG2 4.34Å; V115-V218 HydrophobicContact CG1-CB 3.78Å; V115-V218 HydrophobicContact CG1-CG1 3.24Å; V115-V218 WeakPolarHBondContact O-CA 3.12Å; V115-Q219 PolarHBondContact O-N 3.44Å
116L98.6Very high96.2Very high0 Ų036.2 Ų36.20%016%0.162CC..EExtended strand (participates in β ladder)trans-100.1123.1167.6-54.9-178.1000108.6T133 Q189 M190 L191 M192 Q219 V221L116-T133 HydrophobicContact CD1-CG2 3.36Å; L116-Q189 HydrophobicContact CD2-CG 4.4Å; L116-Q189 HydrophobicContact CG-CG 4.01Å; L116-M190 PolarHBondContact N-O 3.45Å; L116-L191 HydrophobicContact CB-CB 4.48Å; L116-L191 HydrophobicContact CB-CG 4.43Å; L116-L191 HydrophobicContact CD1-CD1 4.42Å; L116-L191 WeakPolarHBondContact O-CA 3.49Å; L116-M192 PolarHBondContact O-N 3.32Å; L116-Q219 WeakPolarHBondContact CA-O 3.31Å; L116-Q219 HydrophobicContact CD2-CB 3.74Å; L116-Q219 HydrophobicContact CD2-CG 4.41Å; L116-V221 HydrophobicContact CB-CG2 4.13Å; L116-V221 HydrophobicContact CD2-CG2 4.35Å
117V98.6Very high96.2Very high0 Ų032.3 Ų32.30%015%0.151CC..EExtended strand (participates in β ladder)trans-105.2119.4174.3-64.70000109.3V115 M192 P194 A211 F212 V218 Q219 P220 V221 V281 M285V115-V117 HydrophobicContact CG2-CG1 4.17Å; V117-M192 CarbonylContact C-O 3.53Å; V117-M192 WeakPolarHBondContact CA-O 3.33Å; V117-P194 HydrophobicContact CB-CG 4.3Å; V117-A211 HydrophobicContact CG1-CB 3.88Å; V117-F212 HydrophobicContact CG1-CE1 4.27Å; V117-F212 HydrophobicContact CG1-CZ 4.08Å; V117-V218 HydrophobicContact CG1-CB 4.25Å; V117-V218 HydrophobicContact CG1-CG1 4.3Å; V117-V218 HydrophobicContact CG2-CB 4.22Å; V117-V218 HydrophobicContact CG2-CG2 3.99Å; V117-Q219 PolarHBondContact N-O 2.92Å; V117-P220 HydrophobicContact CG2-CB 4.23Å; V117-P220 HydrophobicContact CG2-CG 4.4Å; V117-P220 CarbonylContact O-C 3.59Å; V117-P220 WeakPolarHBondContact O-CA 3.39Å; V117-V221 PolarHBondContact O-N 3.19Å; V117-V281 HydrophobicContact CG2-CG1 3.92Å; V117-M285 HydrophobicContact CG2-SD 4.24Å; V117-M285 WeakPolarHBondContact O-CE 3.39Å
118V98.8Very high96.2Very high0 Ų028.7 Ų28.70%014%0.137CC..EExtended strand (participates in β ladder)trans-111.9131.4-167.6-169.80000110.7V129 L191 M192 F193 P194 V221 L223V118-V129 HydrophobicContact CG1-CG2 4.41Å; V118-L191 HydrophobicContact CG2-CD1 3.75Å; V118-L191 HydrophobicContact CG2-CD2 3.81Å; V118-L191 HydrophobicContact CG2-CG 3.57Å; V118-M192 PolarHBondContact N-O 3.29Å; V118-F193 HydrophobicContact CB-CD1 3.82Å; V118-F193 HydrophobicContact CB-CE1 3.61Å; V118-F193 HydrophobicContact CB-CE2 4.43Å; V118-F193 HydrophobicContact CB-CG 4.38Å; V118-F193 HydrophobicContact CB-CZ 3.93Å; V118-F193 HydrophobicContact CG1-CD1 4.04Å; V118-F193 HydrophobicContact CG1-CE1 3.36Å; V118-F193 HydrophobicContact CG1-CZ 3.73Å; V118-F193 WeakPolarHBondContact O-CD1 2.93Å; V118-P194 WeakPolarHBondContact O-CD 3.48Å; V118-V221 VanDerWaalsContact CA-O 3.31Å; V118-V221 WeakPolarHBondContact CA-O 3.45Å; V118-V221 HydrophobicContact CG1-CB 4.46Å; V118-V221 HydrophobicContact CG2-CB 4.11Å; V118-L223 HydrophobicContact CG1-CD1 3.66Å; V118-L223 HydrophobicContact CG1-CD2 3.91Å; V118-L223 HydrophobicContact CG1-CG 3.52Å
119A98.3Very high96.2Very high0 Ų028.7 Ų28.70%014%0.137CC..EExtended strand (participates in β ladder)trans-153.8157174.700000111.8L204 F207 V221 L222 L223 M285A119-L204 HydrophobicContact CB-CD1 4.4Å; A119-L204 HydrophobicContact CB-CD2 3.92Å; A119-F207 HydrophobicContact CB-CE1 4.27Å; A119-F207 HydrophobicContact CB-CZ 3.83Å; A119-V221 PolarHBondContact N-O 2.95Å; A119-L222 CarbonylContact O-C 3.56Å; A119-L222 VanDerWaalsContact O-CA 3.23Å; A119-L222 WeakPolarHBondContact O-CA 3.39Å; A119-L223 PolarHBondContact O-N 2.69Å; A119-M285 HydrophobicContact CB-CE 3.53Å; A119-M285 HydrophobicContact CB-SD 4.36Å
120P97.8Very high96.4Very high5 Ų525.5 Ų25.53%0.03212%0.12CC..  cis-69.5148.9-9.5-16.432000112.2S122 E195 L204 L223 L289P120-S122 PolarHBondContact O-N 3.2Å; P120-E195 WeakPolarHBondContact CA-OE1 3.23Å; P120-L204 HydrophobicContact CB-CD2 4.16Å; P120-L204 HydrophobicContact CG-CD2 4.01Å; P120-L223 WeakPolarHBondContact CD-O 3.44Å; P120-L289 HydrophobicContact CG-CD1 3.9Å
121H96.5Very high96.6Very high29 Ų2923.7 Ų23.713%0.13411%0.112CC..  trans-8291.6165.9-164.514.6000108.4G123 D126 F193 E195 T197 T198 T199H121-G123 PolarHBondContact CE1-O 3.23Å; H121-D126 VanDerWaalsContact CA-OD2 3.26Å; H121-D126 WeakPolarHBondContact CA-OD2 3.41Å; H121-D126 IonicContact CE1-OD2 3.33Å; H121-D126 IonicContact CG-OD2 2.73Å; H121-D126 IonicContact ND1-OD2 3Å; H121-D126 PolarHBondContact ND1-OD2 3.01Å; H121-F193 HydrophobicContact CB-CB 4.01Å; H121-F193 HydrophobicContact CB-CD1 3.46Å; H121-F193 VanDerWaalsContact CB-CD1 3.46Å; H121-F193 HydrophobicContact CB-CE1 4.2Å; H121-F193 HydrophobicContact CB-CG 3.99Å; H121-F193 AromaticContact CD2-CG 3.97Å; H121-F193 AromaticContact CG-CD1 3.51Å; H121-F193 AromaticContact CG-CG 3.69Å; H121-F193 AromaticContact ND1-CD1 3.63Å; H121-F193 AromaticContact ND1-CE1 3.75Å; H121-F193 AromaticContact ND1-CG 3.9Å; H121-E195 PolarHBondContact N-OE1 3.15Å; H121-T197 WeakPolarHBondContact CB-O 3.45Å; H121-T197 PolarHBondContact CD2-O 3.46Å; H121-T198 CarbonylContact O-C 3.44Å; H121-T198 WeakPolarHBondContact O-CA 3.44Å; H121-T199 PolarHBondContact O-N 3.4Å
122S94.9Very high96.8Very high1 Ų115.8 Ų15.81%0.0078%0.08CC..  trans-83.5-29.4-177-56.60000113.5P120 D126 T199 R233 W234P120-S122 PolarHBondContact O-N 3.2Å; S122-D126 PolarHBondContact N-OD2 3.33Å; S122-T199 WeakPolarHBondContact CA-O 3.49Å; S122-R233 WeakPolarHBondContact O-CA 2.92Å; S122-W234 PolarHBondContact O-N 2.91Å
123G93.4Very high96.8Very high0 Ų012.4 Ų12.40%07%0.065CC..  trans176.6-179.3-173.100000114H121 L125 D126H121-G123 PolarHBondContact CE1-O 3.23Å; G123-L125 PolarHBondContact O-N 2.92Å; G123-D126 PolarHBondContact N-OD2 3.1Å; G123-D126 VanDerWaalsContact O-CB 3.31Å; G123-D126 WeakPolarHBondContact O-CB 3.43Å; G123-D126 PolarHBondContact O-N 3.43Å; G123-D126 VanDerWaalsContact O-N 3.16Å; G123-D126 VanDerWaalsContact O-OD2 3.08Å
124F92.7Very high96.7Very high68 Ų6816.7 Ų16.730%0.2989%0.085SC..G310 helixtrans-65.4-24.1178.664.5-90.5000113D126 M127 W234 W241 V245F124-D126 PolarHBondContact O-N 3.32Å; F124-M127 WeakPolarHBondContact O-CG 3.46Å; F124-M127 PolarHBondContact O-N 2.92Å; F124-W234 HydrophobicContact CD1-CD2 4.42Å; F124-W234 AromaticContact CD1-CE3 3.96Å; F124-W234 HydrophobicContact CD1-CE3 3.96Å; F124-W241 HydrophobicContact CE1-CB 4.21Å; F124-V245 HydrophobicContact CE2-CG2 4.1Å; F124-V245 HydrophobicContact CZ-CG2 3.56Å
125L95.2Very high96.7Very high4 Ų416.6 Ų16.62%0.0218%0.083CC..G310 helixtrans-70.7-14.9177-66171.6000113.1F93 L96 F98 G123 M127 L128 V232 T248F93-L125 HydrophobicContact CD1-CD2 4.41Å; F93-L125 HydrophobicContact CE1-CD2 3.96Å; L96-L125 HydrophobicContact CD1-CD2 4.05Å; F98-L125 HydrophobicContact CE2-CB 4.38Å; F98-L125 HydrophobicContact CE2-CD1 4.02Å; F98-L125 HydrophobicContact CE2-CD2 4.02Å; F98-L125 HydrophobicContact CE2-CG 4.36Å; F98-L125 HydrophobicContact CZ-CB 4.02Å; F98-L125 HydrophobicContact CZ-CD1 3.9Å; F98-L125 HydrophobicContact CZ-CD2 4.47Å; F98-L125 HydrophobicContact CZ-CG 4.35Å; G123-L125 PolarHBondContact O-N 2.92Å; L125-M127 PolarHBondContact O-N 2.98Å; L125-M127 VanDerWaalsContact O-N 3.08Å; L125-L128 WeakPolarHBondContact O-CB 3.15Å; L125-L128 PolarHBondContact O-N 3.35Å; L125-L128 VanDerWaalsContact O-N 3.1Å; L125-V232 HydrophobicContact CB-CG1 3.87Å; L125-V232 HydrophobicContact CD1-CG1 4.09Å; L125-V232 HydrophobicContact CD1-CG2 4.5Å; L125-T248 HydrophobicContact CD1-CG2 3.98Å
126D96.9Very high96.6Very high0 Ų016.8 Ų16.80%09%0.085CC..G310 helixtrans-59-21.7173.5-64-23.6000112.5H121 S122 G123 F124 L128 V129 F193 L223 Y225H121-D126 VanDerWaalsContact CA-OD2 3.26Å; H121-D126 WeakPolarHBondContact CA-OD2 3.41Å; H121-D126 IonicContact CE1-OD2 3.33Å; H121-D126 IonicContact CG-OD2 2.73Å; H121-D126 IonicContact ND1-OD2 3Å; H121-D126 PolarHBondContact ND1-OD2 3.01Å; S122-D126 PolarHBondContact N-OD2 3.33Å; G123-D126 PolarHBondContact N-OD2 3.1Å; G123-D126 VanDerWaalsContact O-CB 3.31Å; G123-D126 WeakPolarHBondContact O-CB 3.43Å; G123-D126 PolarHBondContact O-N 3.43Å; G123-D126 VanDerWaalsContact O-N 3.16Å; G123-D126 VanDerWaalsContact O-OD2 3.08Å; F124-D126 PolarHBondContact O-N 3.32Å; D126-L128 PolarHBondContact O-N 2.94Å; D126-V129 VanDerWaalsContact O-CB 3.29Å; D126-V129 WeakPolarHBondContact O-CB 3.43Å; D126-V129 WeakPolarHBondContact O-CG1 3.37Å; D126-V129 PolarHBondContact O-N 3.13Å; D126-F193 HydrophobicContact CB-CE1 3.99Å; D126-F193 HydrophobicContact CB-CZ 3.72Å; D126-L223 HydrophobicContact CB-CD1 3.75Å; D126-Y225 WeakPolarHBondContact CA-OH 3.37Å; D126-Y225 WeakPolarHBondContact OD1-CE2 3.31Å; D126-Y225 PolarHBondContact OD1-OH 3.36Å
127M96Very high96.5Very high61 Ų6117.1 Ų17.130%0.39%0.087SC..G310 helixtrans-59.4-13.8176.3-64.5-60.6124.900113.2F93 F124 L125 V129 L130 F193F93-M127 HydrophobicContact CZ-CB 4.22Å; F124-M127 WeakPolarHBondContact O-CG 3.46Å; F124-M127 PolarHBondContact O-N 2.92Å; L125-M127 PolarHBondContact O-N 2.98Å; L125-M127 VanDerWaalsContact O-N 3.08Å; M127-V129 PolarHBondContact O-N 2.99Å; M127-V129 VanDerWaalsContact O-N 3.16Å; M127-L130 HydrophobicContact CB-CD1 4.47Å; M127-L130 VanDerWaalsContact O-CB 3.25Å; M127-L130 WeakPolarHBondContact O-CB 3.48Å; M127-L130 WeakPolarHBondContact O-CG 3.15Å; M127-L130 PolarHBondContact O-N 3.42Å; M127-L130 HydrophobicContact SD-CD1 4.33Å; M127-F193 HydrophobicContact CE-CD2 3.97Å; M127-F193 HydrophobicContact CE-CE2 3.38Å; M127-F193 HydrophobicContact CE-CZ 4.1Å
128L97.3Very high96.4Very high0 Ų017.8 Ų17.80%09%0.091CC..G310 helixtrans-54.7-27.3166.3177.451.9000112.3F93 F98 V101 L125 D126 L130 C131 P132 M256F93-L128 HydrophobicContact CB-CD1 3.63Å; F93-L128 HydrophobicContact CB-CD2 4.13Å; F93-L128 HydrophobicContact CB-CG 4.34Å; F93-L128 HydrophobicContact CD1-CB 3.79Å; F93-L128 HydrophobicContact CD1-CD1 4.37Å; F93-L128 HydrophobicContact CD1-CD2 4.26Å; F93-L128 HydrophobicContact CD1-CG 4.36Å; F93-L128 HydrophobicContact CD2-CB 4.03Å; F93-L128 HydrophobicContact CD2-CD1 3.71Å; F93-L128 HydrophobicContact CD2-CG 4.4Å; F93-L128 HydrophobicContact CE1-CB 3.83Å; F93-L128 HydrophobicContact CE2-CB 4.09Å; F93-L128 HydrophobicContact CE2-CD1 4.48Å; F93-L128 HydrophobicContact CG-CB 3.9Å; F93-L128 HydrophobicContact CG-CD1 3.66Å; F93-L128 HydrophobicContact CG-CD2 4.24Å; F93-L128 HydrophobicContact CG-CG 4.13Å; F93-L128 HydrophobicContact CZ-CB 3.99Å; F93-L128 VanDerWaalsContact CZ-N 3.34Å; F98-L128 HydrophobicContact CB-CD2 3.59Å; F98-L128 HydrophobicContact CD1-CD2 3.5Å; F98-L128 VanDerWaalsContact CD1-CD2 3.5Å; F98-L128 HydrophobicContact CD2-CD2 4.41Å; F98-L128 HydrophobicContact CE1-CD2 4.26Å; F98-L128 HydrophobicContact CG-CD2 3.58Å; V101-L128 HydrophobicContact CG2-CD1 4.2Å; V101-L128 HydrophobicContact CG2-CD2 3.82Å; V101-L128 HydrophobicContact CG2-CG 4.15Å; L125-L128 WeakPolarHBondContact O-CB 3.15Å; L125-L128 PolarHBondContact O-N 3.35Å; L125-L128 VanDerWaalsContact O-N 3.1Å; D126-L128 PolarHBondContact O-N 2.94Å; L128-L130 PolarHBondContact O-N 3.41Å; L128-C131 HydrophobicContact CD1-CB 4.3Å; L128-C131 WeakPolarHBondContact O-CB 3.32Å; L128-C131 PolarHBondContact O-N 3.43Å; L128-P132 VanDerWaalsContact O-CD 3.31Å; L128-P132 WeakPolarHBondContact O-CD 3.38Å; L128-M256 HydrophobicContact CB-CE 4.49Å; L128-M256 HydrophobicContact CB-SD 3.79Å; L128-M256 HydrophobicContact CD2-CB 4.39Å; L128-M256 HydrophobicContact CD2-SD 3.64Å; L128-M256 HydrophobicContact CG-SD 3.64Å
129V97.9Very high96.2Very high0 Ų020.6 Ų20.60%011%0.108CC..G310 helixtrans-56.3-23.9173.976.80000112.7V118 D126 M127 C131 P132 T133 L191 F193 V221 L223 M256 V258V118-V129 HydrophobicContact CG1-CG2 4.41Å; D126-V129 VanDerWaalsContact O-CB 3.29Å; D126-V129 WeakPolarHBondContact O-CB 3.43Å; D126-V129 WeakPolarHBondContact O-CG1 3.37Å; D126-V129 PolarHBondContact O-N 3.13Å; M127-V129 PolarHBondContact O-N 2.99Å; M127-V129 VanDerWaalsContact O-N 3.16Å; V129-C131 PolarHBondContact O-N 2.83Å; V129-P132 WeakPolarHBondContact O-CD 3.46Å; V129-P132 VanDerWaalsContact O-CG 3.32Å; V129-P132 WeakPolarHBondContact O-CG 3.38Å; V129-T133 HydrophobicContact CG2-CG2 4.2Å; V129-T133 WeakPolarHBondContact O-CG2 3.32Å; V129-T133 PolarHBondContact O-N 3.32Å; V129-T133 PolarHBondContact O-OG1 3.07Å; V129-L191 HydrophobicContact CG1-CD1 3.74Å; V129-L191 HydrophobicContact CG1-CD2 4.27Å; V129-L191 HydrophobicContact CG2-CD1 4.4Å; V129-F193 HydrophobicContact CG1-CZ 4.13Å; V129-V221 HydrophobicContact CG2-CG1 4.45Å; V129-L223 HydrophobicContact CB-CD2 4.23Å; V129-L223 HydrophobicContact CG2-CD2 3.85Å; V129-M256 HydrophobicContact CB-CE 3.94Å; V129-V258 HydrophobicContact CG2-CG1 4.13Å; V129-V258 HydrophobicContact CG2-CG2 4.31Å
130L97.8Very high95.9Very high29 Ų2921.1 Ų21.115%0.15211%0.112CC..G310 helixtrans-62.1-26.2175.4-65.5176.6000112.7M127 L128 T133 Q134 L135 A136 V138 L191M127-L130 HydrophobicContact CB-CD1 4.47Å; M127-L130 VanDerWaalsContact O-CB 3.25Å; M127-L130 WeakPolarHBondContact O-CB 3.48Å; M127-L130 WeakPolarHBondContact O-CG 3.15Å; M127-L130 PolarHBondContact O-N 3.42Å; M127-L130 HydrophobicContact SD-CD1 4.33Å; L128-L130 PolarHBondContact O-N 3.41Å; L130-T133 WeakPolarHBondContact CA-OG1 3.26Å; L130-T133 PolarHBondContact O-OG1 3.1Å; L130-Q134 PolarHBondContact O-N 3.14Å; L130-L135 HydrophobicContact CB-CD2 4.13Å; L130-L135 WeakPolarHBondContact O-CA 3.37Å; L130-L135 PolarHBondContact O-N 3.43Å; L130-A136 WeakPolarHBondContact CD2-O 3.47Å; L130-V138 HydrophobicContact CD1-CG1 4.48Å; L130-V138 HydrophobicContact CD2-CG1 3.74Å; L130-L191 HydrophobicContact CD2-CD1 4.22Å
131C97.4Very high95.5Very high13 Ų1326.1 Ų26.19%0.08813%0.13CC..THydrogen-bonded Turntrans-65.7-59.1177.4-65.10000112L86 L128 V129 T133 Q134L86-C131 HydrophobicContact CD1-CB 4.21Å; L128-C131 HydrophobicContact CD1-CB 4.3Å; L128-C131 WeakPolarHBondContact O-CB 3.32Å; L128-C131 PolarHBondContact O-N 3.43Å; V129-C131 PolarHBondContact O-N 2.83Å; C131-T133 PolarHBondContact O-N 3.34Å; C131-Q134 PolarHBondContact O-N 2.67Å; C131-Q134 VanDerWaalsContact O-N 3.15Å
132P96.9Very high95.2Very high28 Ų2830.5 Ų30.518%0.18215%0.146CC..THydrogen-bonded Turntrans-66.3-21177.225.5-33.9000113.5V103 R107 L128 V129 Q134 V258 Y260V103-P132 HydrophobicContact CG2-CB 4.01Å; R107-P132 PolarHBondContact NH1-O 2.99Å; R107-P132 VanDerWaalsContact NH1-O 3.16Å; L128-P132 VanDerWaalsContact O-CD 3.31Å; L128-P132 WeakPolarHBondContact O-CD 3.38Å; V129-P132 WeakPolarHBondContact O-CD 3.46Å; V129-P132 VanDerWaalsContact O-CG 3.32Å; V129-P132 WeakPolarHBondContact O-CG 3.38Å; P132-Q134 VanDerWaalsContact C-N 3.33Å; P132-V258 HydrophobicContact CG-CB 4.49Å; P132-V258 HydrophobicContact CG-CG1 4.39Å; P132-V258 HydrophobicContact CG-CG2 4.04Å; P132-Y260 PolarHBondContact O-OH 2.88Å
133T96.6Very high95Very high3 Ų333.8 Ų33.82%0.01816%0.161CC..THydrogen-bonded Turntrans-89.710.417567.10000114.2R107 L116 V129 L130 C131 L135 A136 L191 Y260R107-T133 VanDerWaalsContact NH1-C 3.27Å; R107-T133 PolarHBondContact NH1-O 3.5Å; L116-T133 HydrophobicContact CD1-CG2 3.36Å; V129-T133 HydrophobicContact CG2-CG2 4.2Å; V129-T133 WeakPolarHBondContact O-CG2 3.32Å; V129-T133 PolarHBondContact O-N 3.32Å; V129-T133 PolarHBondContact O-OG1 3.07Å; L130-T133 WeakPolarHBondContact CA-OG1 3.26Å; L130-T133 PolarHBondContact O-OG1 3.1Å; C131-T133 PolarHBondContact O-N 3.34Å; T133-L135 PolarHBondContact O-N 2.9Å; T133-A136 PolarHBondContact O-N 3.47Å; T133-L191 HydrophobicContact CG2-CD1 3.94Å; T133-Y260 HydrophobicContact CG2-CE1 4.28Å; T133-Y260 WeakPolarHBondContact CG2-OH 3.45Å
134Q94.8Very high94.9Very high91 Ų9136.6 Ų36.643%0.42518%0.176SC..THydrogen-bonded Turntrans56.348.4177.3-61-73.6-37.100112.5H82 L130 C131 P132 A136H82-Q134 PolarHBondContact CE1-O 3.5Å; H82-Q134 PolarHBondContact NE2-O 3.09Å; L130-Q134 PolarHBondContact O-N 3.14Å; C131-Q134 PolarHBondContact O-N 2.67Å; C131-Q134 VanDerWaalsContact O-N 3.15Å; P132-Q134 VanDerWaalsContact C-N 3.33Å; Q134-A136 VanDerWaalsContact C-N 3.3Å; Q134-A136 PolarHBondContact O-N 3.23Å
135L96.3Very high94.9Very high17 Ų1735 Ų359%0.08917%0.172CC..SBendtrans5147.7-179.6-49.8177.2000112.5I85 L86 L130 T133 F156 N157I85-L135 HydrophobicContact CB-CD1 4.21Å; I85-L135 HydrophobicContact CG2-CD1 3.75Å; L86-L135 HydrophobicContact CB-CD1 4.1Å; L86-L135 HydrophobicContact CB-CG 4.34Å; L86-L135 HydrophobicContact CD1-CD2 4.04Å; L86-L135 HydrophobicContact CD1-CG 4.05Å; L130-L135 HydrophobicContact CB-CD2 4.13Å; L130-L135 WeakPolarHBondContact O-CA 3.37Å; L130-L135 PolarHBondContact O-N 3.43Å; T133-L135 PolarHBondContact O-N 2.9Å; L135-F156 HydrophobicContact CD1-CE1 3.97Å; L135-N157 PolarHBondContact O-ND2 3.46Å; L135-N157 VanDerWaalsContact O-ND2 3.08Å
136A96.7Very high94.8Very high4 Ų442.5 Ų42.53%0.03321%0.205CC..  trans-46.7145.517300000111.2L130 T133 Q134 N157 Q189 L191L130-A136 WeakPolarHBondContact CD2-O 3.47Å; T133-A136 PolarHBondContact O-N 3.47Å; Q134-A136 VanDerWaalsContact C-N 3.3Å; Q134-A136 PolarHBondContact O-N 3.23Å; A136-N157 PolarHBondContact O-ND2 3.19Å; A136-Q189 CarbonylContact C-O 3.55Å; A136-Q189 WeakPolarHBondContact CA-O 3.26Å; A136-Q189 WeakPolarHBondContact CB-O 3.45Å; A136-L191 HydrophobicContact CB-CB 3.76Å; A136-L191 HydrophobicContact CB-CD1 4.43Å
137T96.6Very high94.6Very high6 Ų646.8 Ų46.84%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-75.6135.7-174.769.20000110.7N157 P188 Q189 M190 L191T137-N157 VanDerWaalsContact CA-OD1 3.31Å; T137-N157 WeakPolarHBondContact CA-OD1 3.19Å; T137-N157 VanDerWaalsContact CG2-O 3.24Å; T137-N157 WeakPolarHBondContact CG2-O 3.29Å; T137-P188 HydrophobicContact CG2-CB 4.13Å; T137-P188 HydrophobicContact CG2-CG 4.26Å; T137-Q189 PolarHBondContact N-O 3.09Å; T137-M190 CarbonylContact O-C 3.58Å; T137-M190 VanDerWaalsContact O-CA 3.22Å; T137-M190 WeakPolarHBondContact O-CA 3.42Å; T137-M190 WeakPolarHBondContact OG1-CG 3.47Å; T137-L191 PolarHBondContact O-N 2.97Å
138V96.3Very high94.3Very high15 Ų1548.2 Ų48.29%0.09124%0.241CC..EExtended strand (participates in β ladder)trans-108.1162.7-174.4-60.60000112.6L130 L154 N157 S159 V160 L191L130-V138 HydrophobicContact CD1-CG1 4.48Å; L130-V138 HydrophobicContact CD2-CG1 3.74Å; V138-L154 HydrophobicContact CG2-CD2 4.11Å; V138-N157 PolarHBondContact N-OD1 3.45Å; V138-S159 WeakPolarHBondContact CG2-OG 3.36Å; V138-S159 CarbonylContact O-C 3.21Å; V138-S159 VanDerWaalsContact O-CA 3.3Å; V138-S159 WeakPolarHBondContact O-CA 3.37Å; V138-S159 VanDerWaalsContact O-CB 3.28Å; V138-S159 WeakPolarHBondContact O-CB 3.48Å; V138-V160 PolarHBondContact O-N 3.08Å; V138-L191 HydrophobicContact CG1-CB 4.42Å; V138-L191 HydrophobicContact CG1-CD2 4.33Å
139V93.4Very high94.2Very high58 Ų5849.6 Ų49.635%0.35225%0.249SC..EExtended strand (participates in β ladder)trans-96.3126.1162.7-175.70000108.1V160 V162 L177 M190 M192V139-V160 CarbonylContact C-O 3.59Å; V139-V160 VanDerWaalsContact CA-O 3.3Å; V139-V160 WeakPolarHBondContact CA-O 3.48Å; V139-V160 HydrophobicContact CG2-CB 4.33Å; V139-V162 HydrophobicContact CG1-CG1 4.13Å; V139-L177 HydrophobicContact CG2-CD1 4.37Å; V139-M190 HydrophobicContact CG2-CE 4.19Å; V139-M192 HydrophobicContact CG2-CE 4.33Å; V139-M192 HydrophobicContact CG2-CG 3.99Å; V139-M192 HydrophobicContact CG2-SD 3.92Å
140S92.3Very high94.1Very high12 Ų1252.6 Ų52.68%0.08427%0.265CS..EExtended strand (participates in β ladder)trans-129.8154.2-177.9179.40000111.8N144 L154 V160 L161 V162S140-N144 PolarHBondContact OG-ND2 2.77Å; S140-L154 WeakPolarHBondContact OG-CD1 3.43Å; S140-V160 PolarHBondContact N-O 2.86Å; S140-L161 CarbonylContact O-C 3.59Å; S140-L161 WeakPolarHBondContact O-CA 3.49Å; S140-V162 PolarHBondContact O-N 3.12Å
141R89.8Confident94Very high110 Ų11051.3 Ų51.342%0.41526%0.258SS..EExtended strand (participates in β ladder)trans-64.7140.5170.4-64.8-171.3-169.7-179.47.8109.9E143 N144 V162 R164R141-E143 WeakPolarHBondContact CB-OE2 3.34Å; R141-E143 PolarHBondContact O-N 3.47Å; R141-N144 WeakPolarHBondContact O-CB 3.29Å; R141-N144 PolarHBondContact O-N 2.63Å; R141-N144 VanDerWaalsContact O-N 3.16Å; R141-V162 WeakPolarHBondContact CA-O 3.49Å; R141-R164 VanDerWaalsContact NH2-CZ 3.32Å; R141-R164 VanDerWaalsContact NH2-NH1 3.15Å
142Y89.7Confident94Very high120 Ų12050.7 Ų50.747%0.47125%0.254SS..G310 helixtrans-58.3-36.1178.3-179.5-96.6000111.8N144 T145 L161 V162Y142-N144 PolarHBondContact O-N 3.37Å; Y142-N144 VanDerWaalsContact O-N 3.1Å; Y142-T145 WeakPolarHBondContact O-CB 3.26Å; Y142-T145 WeakPolarHBondContact O-CG2 3.2Å; Y142-T145 PolarHBondContact O-N 2.69Å; Y142-T145 PolarHBondContact O-OG1 2.89Å; Y142-L161 HydrophobicContact CD2-CB 4.36Å; Y142-L161 HydrophobicContact CD2-CD1 4.19Å; Y142-V162 PolarHBondContact N-O 3.1Å
143E90.6Very high94Very high71 Ų7150.9 Ų50.933%0.33225%0.253SS..G310 helixtrans-59.6-26-179.8-63.184.2172.800113.5R141 T145 K146R141-E143 WeakPolarHBondContact CB-OE2 3.34Å; R141-E143 PolarHBondContact O-N 3.47Å; E143-T145 PolarHBondContact O-N 2.85Å; E143-K146 WeakPolarHBondContact O-CB 3.47Å; E143-K146 PolarHBondContact O-N 2.99Å; E143-K146 VanDerWaalsContact O-N 3.17Å
144N92Very high94Very high58 Ų5851.7 Ų51.731%0.3126%0.258SS..G310 helixtrans-67.2-17.2178.4-66.8-12.8000112.7S140 R141 Y142 K146 L147 I150 L154S140-N144 PolarHBondContact OG-ND2 2.77Å; R141-N144 WeakPolarHBondContact O-CB 3.29Å; R141-N144 PolarHBondContact O-N 2.63Å; R141-N144 VanDerWaalsContact O-N 3.16Å; Y142-N144 PolarHBondContact O-N 3.37Å; Y142-N144 VanDerWaalsContact O-N 3.1Å; N144-K146 PolarHBondContact O-N 3.01Å; N144-L147 PolarHBondContact O-N 3.15Å; N144-I150 HydrophobicContact CB-CG2 4.47Å; N144-L154 HydrophobicContact CB-CD1 3.63Å
145T92.4Very high94Very high36 Ų3650.6 Ų50.622%0.22125%0.252CS..G310 helixtrans-71.1-20.9175.465.50000113Y142 E143 L147 L154 L161Y142-T145 WeakPolarHBondContact O-CB 3.26Å; Y142-T145 WeakPolarHBondContact O-CG2 3.2Å; Y142-T145 PolarHBondContact O-N 2.69Å; Y142-T145 PolarHBondContact O-OG1 2.89Å; E143-T145 PolarHBondContact O-N 2.85Å; T145-L147 PolarHBondContact O-N 2.93Å; T145-L154 HydrophobicContact CG2-CD1 4.5Å; T145-L161 HydrophobicContact CG2-CD1 3.45Å; T145-L161 VanDerWaalsContact CG2-CD1 3.45Å; T145-L161 HydrophobicContact CG2-CD2 3.75Å; T145-L161 HydrophobicContact CG2-CG 4.24Å
146K93.1Very high93.9Very high160 Ų16050 Ų5070%0.69625%0.249SC*.G310 helixtrans-72.8-16.1178.5-58.8-174.4178.1-173.90112.7E143 N144E143-K146 WeakPolarHBondContact O-CB 3.47Å; E143-K146 PolarHBondContact O-N 2.99Å; E143-K146 VanDerWaalsContact O-N 3.17Å; N144-K146 PolarHBondContact O-N 3.01Å
147L93Very high93.9Very high90 Ų9050.9 Ų50.947%0.47125%0.253SS..SBendtrans-79.5124.8175.8-64.6175.8000109.2N144 T145 V149 I150 G151N144-L147 PolarHBondContact O-N 3.15Å; T145-L147 PolarHBondContact O-N 2.93Å; L147-V149 PolarHBondContact O-N 3.45Å; L147-I150 HydrophobicContact CB-CB 3.84Å; L147-I150 HydrophobicContact CB-CG1 4.23Å; L147-I150 HydrophobicContact CD1-CB 4.14Å; L147-I150 HydrophobicContact CD1-CG1 4.1Å; L147-I150 HydrophobicContact CD1-CG2 4.42Å; L147-I150 PolarHBondContact O-N 2.86Å; L147-G151 WeakPolarHBondContact O-CA 3.24Å; L147-G151 PolarHBondContact O-N 3.27Å
148P90.5Very high93.8Very high91 Ų9151.4 Ų51.459%0.59126%0.255SS*.Hα-helixtrans-55.9-50.6-168.4-28.634.2000115.1W54W54-P148 VanDerWaalsContact CD1-O 3.32Å; W54-P148 PolarHBondContact NE1-O 2.96Å
149V95.2Very high93.8Very high29 Ų2951.4 Ų51.418%0.17626%0.256CS..Hα-helixtrans-80.1-46.2-178.6-174.80000111.2F50 W54 L147 G151 A152 L153F50-V149 HydrophobicContact CB-CG1 4.02Å; F50-V149 HydrophobicContact CD1-CG1 3.77Å; F50-V149 HydrophobicContact CG-CG1 4.3Å; F50-V149 WeakPolarHBondContact O-CG1 3.32Å; W54-V149 HydrophobicContact CB-CG1 4.29Å; W54-V149 HydrophobicContact CB-CG2 4.14Å; W54-V149 HydrophobicContact CG-CG2 4.42Å; L147-V149 PolarHBondContact O-N 3.45Å; V149-G151 VanDerWaalsContact C-N 3.35Å; V149-G151 PolarHBondContact O-N 2.76Å; V149-A152 PolarHBondContact O-N 3.04Å; V149-L153 HydrophobicContact CG1-CD1 4.12Å; V149-L153 HydrophobicContact CG1-CG 4.48Å; V149-L153 WeakPolarHBondContact O-CG 3.36Å; V149-L153 PolarHBondContact O-N 3.37Å
150I95.1Very high93.9Very high64 Ų6448.9 Ų48.933%0.32824%0.24SC..Hα-helixtrans-63.8-41.2-178-56.7-58.1000111F50 N144 L147 A152 L153 L154F50-I150 HydrophobicContact CE1-CD1 4.4Å; N144-I150 HydrophobicContact CB-CG2 4.47Å; L147-I150 HydrophobicContact CB-CB 3.84Å; L147-I150 HydrophobicContact CB-CG1 4.23Å; L147-I150 HydrophobicContact CD1-CB 4.14Å; L147-I150 HydrophobicContact CD1-CG1 4.1Å; L147-I150 HydrophobicContact CD1-CG2 4.42Å; L147-I150 PolarHBondContact O-N 2.86Å; I150-A152 PolarHBondContact O-N 3.16Å; I150-L153 PolarHBondContact O-N 2.95Å; I150-L153 VanDerWaalsContact O-N 3.16Å; I150-L154 HydrophobicContact CG2-CD1 4.18Å; I150-L154 HydrophobicContact CG2-CG 4.35Å; I150-L154 WeakPolarHBondContact O-CG 3.29Å; I150-L154 PolarHBondContact O-N 2.98Å
151G95.7Very high94Very high1 Ų151.1 Ų51.11%0.0125%0.251CS..Hα-helixtrans-60.2-44.217500000112.5L147 V149 L153 L154 E155L147-G151 WeakPolarHBondContact O-CA 3.24Å; L147-G151 PolarHBondContact O-N 3.27Å; V149-G151 VanDerWaalsContact C-N 3.35Å; V149-G151 PolarHBondContact O-N 2.76Å; G151-L153 VanDerWaalsContact C-N 3.3Å; G151-L153 PolarHBondContact O-N 3.27Å; G151-L154 PolarHBondContact O-N 2.93Å; G151-E155 WeakPolarHBondContact O-CG 3.49Å; G151-E155 PolarHBondContact O-N 2.98Å
152A96.3Very high94Very high0 Ų047.3 Ų47.30%024%0.24CC..Hα-helixtrans-62.5-37.1174.400000112.3A57 R58 V149 I150 E155 F156A57-A152 HydrophobicContact CB-CB 3.99Å; R58-A152 HydrophobicContact CG-CB 4.13Å; V149-A152 PolarHBondContact O-N 3.04Å; I150-A152 PolarHBondContact O-N 3.16Å; A152-E155 PolarHBondContact O-N 3.1Å; A152-F156 WeakPolarHBondContact O-CB 3.37Å; A152-F156 PolarHBondContact O-N 3.15Å
153L97.1Very high93.9Very high32 Ų3242.4 Ų42.417%0.16822%0.223CC..Hα-helixtrans-70.7-35.6176.2-68.1174.1000113F50 M53 A57 I85 V149 I150 G151 F156 N157F50-L153 HydrophobicContact CD1-CD1 4.27Å; F50-L153 HydrophobicContact CE1-CD1 4.14Å; M53-L153 HydrophobicContact CB-CD2 4.31Å; M53-L153 HydrophobicContact CE-CD1 3.94Å; M53-L153 HydrophobicContact CE-CD2 3.76Å; A57-L153 HydrophobicContact CB-CD2 4.01Å; I85-L153 HydrophobicContact CD1-CD2 4.29Å; I85-L153 HydrophobicContact CG2-CD2 4.25Å; V149-L153 HydrophobicContact CG1-CD1 4.12Å; V149-L153 HydrophobicContact CG1-CG 4.48Å; V149-L153 WeakPolarHBondContact O-CG 3.36Å; V149-L153 PolarHBondContact O-N 3.37Å; I150-L153 PolarHBondContact O-N 2.95Å; I150-L153 VanDerWaalsContact O-N 3.16Å; G151-L153 VanDerWaalsContact C-N 3.3Å; G151-L153 PolarHBondContact O-N 3.27Å; L153-F156 PolarHBondContact O-N 2.91Å; L153-N157 WeakPolarHBondContact O-CB 3.4Å; L153-N157 PolarHBondContact O-N 3.06Å
154L96.5Very high93.2Very high21 Ų2144.4 Ų44.411%0.1123%0.228CC..Hα-helixtrans-66.5-41.2173-69.9173.4000111.4V138 S140 N144 T145 I150 G151 N157 Q158 S159 L161V138-L154 HydrophobicContact CG2-CD2 4.11Å; S140-L154 WeakPolarHBondContact OG-CD1 3.43Å; N144-L154 HydrophobicContact CB-CD1 3.63Å; T145-L154 HydrophobicContact CG2-CD1 4.5Å; I150-L154 HydrophobicContact CG2-CD1 4.18Å; I150-L154 HydrophobicContact CG2-CG 4.35Å; I150-L154 WeakPolarHBondContact O-CG 3.29Å; I150-L154 PolarHBondContact O-N 2.98Å; G151-L154 PolarHBondContact O-N 2.93Å; L154-N157 PolarHBondContact O-N 3.02Å; L154-Q158 PolarHBondContact O-N 3.42Å; L154-S159 WeakPolarHBondContact CD2-OG 3.34Å; L154-S159 PolarHBondContact O-N 2.92Å; L154-S159 PolarHBondContact O-OG 3.25Å; L154-L161 HydrophobicContact CD1-CD2 4.38Å
155E94.7Very high92.6Very high67 Ų6750.3 Ų50.331%0.31325%0.251SS..Hα-helixtrans-60.3-49.9171.3-75.2175.8-163.400110.9R58 L61 G151 A152 N157 Q158R58-E155 IonicContact CZ-OE1 3.93Å; R58-E155 IonicContact CZ-OE2 3.65Å; R58-E155 VanDerWaalsContact NH1-CD 3.31Å; R58-E155 IonicContact NH1-OE1 3.07Å; R58-E155 PolarHBondContact NH1-OE1 3.36Å; R58-E155 IonicContact NH1-OE2 2.77Å; R58-E155 PolarHBondContact NH1-OE2 3.28Å; L61-E155 HydrophobicContact CD1-CB 3.92Å; G151-E155 WeakPolarHBondContact O-CG 3.49Å; G151-E155 PolarHBondContact O-N 2.98Å; A152-E155 PolarHBondContact O-N 3.1Å; E155-N157 VanDerWaalsContact C-N 3.29Å; E155-N157 PolarHBondContact O-N 3.37Å; E155-Q158 WeakPolarHBondContact O-CA 3.28Å; E155-Q158 PolarHBondContact O-N 3.45Å
156F95.9Very high92.2Very high6 Ų651.9 Ų51.93%0.02626%0.258CS..Hα-helixtrans-56-41.8176.3171.5-82.2000112.9A57 R60 I85 L135 A152 L153 Q158A57-F156 HydrophobicContact CB-CB 3.97Å; A57-F156 HydrophobicContact CB-CD2 4.35Å; A57-F156 HydrophobicContact CB-CG 4.44Å; R60-F156 HydrophobicContact CB-CD2 3.73Å; R60-F156 HydrophobicContact CB-CE2 4.13Å; R60-F156 HydrophobicContact CG-CD2 4.05Å; R60-F156 HydrophobicContact CG-CE2 4.27Å; R60-F156 VanDerWaalsContact NH1-CE1 3.34Å; I85-F156 HydrophobicContact CB-CE1 3.83Å; I85-F156 HydrophobicContact CB-CE2 4.08Å; I85-F156 HydrophobicContact CB-CZ 3.49Å; I85-F156 VanDerWaalsContact CB-CZ 3.49Å; I85-F156 HydrophobicContact CG1-CD2 4.04Å; I85-F156 HydrophobicContact CG1-CE1 4.01Å; I85-F156 HydrophobicContact CG1-CE2 3.42Å; I85-F156 VanDerWaalsContact CG1-CE2 3.42Å; I85-F156 HydrophobicContact CG1-CZ 3.4Å; I85-F156 HydrophobicContact CG2-CD1 4.17Å; I85-F156 HydrophobicContact CG2-CE1 3.67Å; I85-F156 HydrophobicContact CG2-CZ 3.9Å; L135-F156 HydrophobicContact CD1-CE1 3.97Å; A152-F156 WeakPolarHBondContact O-CB 3.37Å; A152-F156 PolarHBondContact O-N 3.15Å; L153-F156 PolarHBondContact O-N 2.91Å; F156-Q158 PolarHBondContact O-N 3.39Å
157N95.9Very high91.8Very high21 Ų2147.4 Ų47.411%0.11225%0.245CC..THydrogen-bonded Turntrans-73.9-10.5177.3-178.2-105.4000112.4L135 A136 T137 V138 L153 L154 E155 S159L135-N157 PolarHBondContact O-ND2 3.46Å; L135-N157 VanDerWaalsContact O-ND2 3.08Å; A136-N157 PolarHBondContact O-ND2 3.19Å; T137-N157 VanDerWaalsContact CA-OD1 3.31Å; T137-N157 WeakPolarHBondContact CA-OD1 3.19Å; T137-N157 VanDerWaalsContact CG2-O 3.24Å; T137-N157 WeakPolarHBondContact CG2-O 3.29Å; V138-N157 PolarHBondContact N-OD1 3.45Å; L153-N157 WeakPolarHBondContact O-CB 3.4Å; L153-N157 PolarHBondContact O-N 3.06Å; L154-N157 PolarHBondContact O-N 3.02Å; E155-N157 VanDerWaalsContact C-N 3.29Å; E155-N157 PolarHBondContact O-N 3.37Å; N157-S159 PolarHBondContact O-N 2.94Å; N157-S159 PolarHBondContact OD1-OG 3.02Å
158Q95.3Very high91.5Very high18 Ų1847.8 Ų47.88%0.08425%0.245CC..THydrogen-bonded Turntrans53.739.5-171.8-56.9-175.9-96.800112R69 R71 L154 E155 F156 R180 W187R69-Q158 PolarHBondContact O-NE2 3.34Å; R69-Q158 VanDerWaalsContact O-NE2 3.16Å; R71-Q158 PolarHBondContact O-NE2 2.73Å; L154-Q158 PolarHBondContact O-N 3.42Å; E155-Q158 WeakPolarHBondContact O-CA 3.28Å; E155-Q158 PolarHBondContact O-N 3.45Å; F156-Q158 PolarHBondContact O-N 3.39Å; Q158-R180 PolarHBondContact O-NH1 3.38Å; Q158-R180 PolarHBondContact O-NH2 2.72Å; Q158-R180 VanDerWaalsContact O-NH2 3.13Å; Q158-W187 HydrophobicContact CB-CZ3 4.33Å
159S95.7Very high91.4Very high14 Ų1444.5 Ų44.510%0.09822%0.224CC..PPolyproline II helixtrans-59.8148.4-174-53.50000112.7V138 L154 N157 L161V138-S159 WeakPolarHBondContact CG2-OG 3.36Å; V138-S159 CarbonylContact O-C 3.21Å; V138-S159 VanDerWaalsContact O-CA 3.3Å; V138-S159 WeakPolarHBondContact O-CA 3.37Å; V138-S159 VanDerWaalsContact O-CB 3.28Å; V138-S159 WeakPolarHBondContact O-CB 3.48Å; L154-S159 WeakPolarHBondContact CD2-OG 3.34Å; L154-S159 PolarHBondContact O-N 2.92Å; L154-S159 PolarHBondContact O-OG 3.25Å; N157-S159 PolarHBondContact O-N 2.94Å; N157-S159 PolarHBondContact OD1-OG 3.02Å; S159-L161 PolarHBondContact O-N 3.12Å
160V95.1Very high91Very high5 Ų548.3 Ų48.33%0.0324%0.235CC..EExtended strand (participates in β ladder)trans-80.4119.4170.7178.60000108.2V138 V139 S140 A173 M190V138-V160 PolarHBondContact O-N 3.08Å; V139-V160 CarbonylContact C-O 3.59Å; V139-V160 VanDerWaalsContact CA-O 3.3Å; V139-V160 WeakPolarHBondContact CA-O 3.48Å; V139-V160 HydrophobicContact CG2-CB 4.33Å; S140-V160 PolarHBondContact N-O 2.86Å; V160-A173 HydrophobicContact CG1-CB 3.97Å; V160-M190 HydrophobicContact CG2-CE 3.8Å
161L93.4Very high90.7Very high60 Ų6051.3 Ų51.331%0.31425%0.245SC..EExtended strand (participates in β ladder)trans-95.8137.6-177.9-59.2174.2000110.8S140 Y142 T145 L154 S159S140-L161 CarbonylContact O-C 3.59Å; S140-L161 WeakPolarHBondContact O-CA 3.49Å; Y142-L161 HydrophobicContact CD2-CB 4.36Å; Y142-L161 HydrophobicContact CD2-CD1 4.19Å; T145-L161 HydrophobicContact CG2-CD1 3.45Å; T145-L161 VanDerWaalsContact CG2-CD1 3.45Å; T145-L161 HydrophobicContact CG2-CD2 3.75Å; T145-L161 HydrophobicContact CG2-CG 4.24Å; L154-L161 HydrophobicContact CD1-CD2 4.38Å; S159-L161 PolarHBondContact O-N 3.12Å
162V90.4Very high90.5Very high29 Ų2956.6 Ų56.618%0.17627%0.271CS..EExtended strand (participates in β ladder)trans-130.9129.6177.863.50000111.5V139 S140 R141 Y142 R170 A173V139-V162 HydrophobicContact CG1-CG1 4.13Å; S140-V162 PolarHBondContact O-N 3.12Å; R141-V162 WeakPolarHBondContact CA-O 3.49Å; Y142-V162 PolarHBondContact N-O 3.1Å; V162-R170 HydrophobicContact CG2-CB 4.45Å; V162-R170 HydrophobicContact CG2-CG 3.86Å; V162-A173 HydrophobicContact CB-CB 4.04Å; V162-A173 HydrophobicContact CG2-CB 4.14Å
163S87.6Confident90.3Very high18 Ų1857.1 Ų57.113%0.12628%0.276CS..  trans-92.4126.4167176.50000109.6K165 D166 S169 R170S163-K165 VanDerWaalsContact C-N 3.28Å; S163-K165 PolarHBondContact OG-N 2.78Å; S163-D166 PolarHBondContact OG-N 2.82Å; S163-S169 WeakPolarHBondContact CB-OG 3.36Å; S163-S169 PolarHBondContact N-OG 3.16Å; S163-R170 WeakPolarHBondContact O-CG 3.3Å
164R76.9Confident90.1Very high113 Ų11358.5 Ų58.543%0.42629%0.285SS..SBendtrans-76.6-19174-68.1-176.2-178.8-172.7-1.1112.4R141 R170 G196R141-R164 VanDerWaalsContact NH2-CZ 3.32Å; R141-R164 VanDerWaalsContact NH2-NH1 3.15Å; R164-R170 PolarHBondContact O-NH1 2.91Å; R164-G196 PolarHBondContact NH2-O 3Å; R164-G196 VanDerWaalsContact NH2-O 3.09Å
165K78.1Confident90Very high181 Ų18160.3 Ų60.379%0.78730%0.304SS*.SBendtrans-82.4-23.1-179.2-61.8-174.1-178.7-174.10112.6S163S163-K165 VanDerWaalsContact C-N 3.28Å; S163-K165 PolarHBondContact OG-N 2.78Å
166D84Confident90Very high70 Ų7062.2 Ų62.237%0.37431%0.311SS..  trans-111.6111.5-175.7174.115.8000110.7S163 E168 S169 R170S163-D166 PolarHBondContact OG-N 2.82Å; D166-E168 VanDerWaalsContact C-N 3.27Å; D166-E168 PolarHBondContact O-N 2.91Å; D166-E168 PolarHBondContact OD1-N 3.39Å; D166-S169 PolarHBondContact O-N 3.11Å; D166-S169 WeakPolarHBondContact OD2-CB 3.32Å; D166-S169 PolarHBondContact OD2-N 3.06Å; D166-S169 VanDerWaalsContact OD2-N 3.12Å; D166-R170 PolarHBondContact O-N 2.81Å
167P85.6Confident90Very high65 Ų6562.3 Ų62.342%0.42231%0.312SS..Hα-helixtrans-57.1-36.2174.8-23.133.8000114.1R170 K171P167-R170 WeakPolarHBondContact O-CB 3.29Å; P167-R170 PolarHBondContact O-N 3.1Å; P167-K171 PolarHBondContact O-N 3.39Å; P167-K171 VanDerWaalsContact O-N 3.13Å
168E87.3Confident90Very high99 Ų9964.4 Ų64.446%0.46332%0.322SS..Hα-helixtrans-70.7-41.9-179.1-67.7-53.1124.700110.8D166 R170 K171 M172D166-E168 VanDerWaalsContact C-N 3.27Å; D166-E168 PolarHBondContact O-N 2.91Å; D166-E168 PolarHBondContact OD1-N 3.39Å; E168-R170 PolarHBondContact O-N 3.05Å; E168-K171 PolarHBondContact O-N 3.38Å; E168-K171 WeakPolarHBondContact OE1-CE 3.49Å; E168-K171 IonicContact OE1-NZ 2.77Å; E168-K171 PolarHBondContact OE1-NZ 2.82Å; E168-K171 IonicContact OE2-NZ 2.69Å; E168-M172 WeakPolarHBondContact O-CG 3.4Å; E168-M172 PolarHBondContact O-N 3.32Å
169S88.4Confident90Very high22 Ų2268.7 Ų68.715%0.15434%0.342CS..Hα-helixtrans-53.2-38.6169.8177.80000112.7S163 D166 A173S163-S169 WeakPolarHBondContact CB-OG 3.36Å; S163-S169 PolarHBondContact N-OG 3.16Å; D166-S169 PolarHBondContact O-N 3.11Å; D166-S169 WeakPolarHBondContact OD2-CB 3.32Å; D166-S169 PolarHBondContact OD2-N 3.06Å; D166-S169 VanDerWaalsContact OD2-N 3.12Å; S169-A173 VanDerWaalsContact O-CB 3.31Å; S169-A173 WeakPolarHBondContact O-CB 3.39Å; S169-A173 PolarHBondContact O-N 2.85Å
170R86.1Confident90Very high108 Ų10869.4 Ų69.441%0.40834%0.342SS..Hα-helixtrans-66.3-45.4175.7-64.4-168.3-65.1-91.79.6112.1V162 S163 R164 D166 P167 E168 A173 V174V162-R170 HydrophobicContact CG2-CB 4.45Å; V162-R170 HydrophobicContact CG2-CG 3.86Å; S163-R170 WeakPolarHBondContact O-CG 3.3Å; R164-R170 PolarHBondContact O-NH1 2.91Å; D166-R170 PolarHBondContact O-N 2.81Å; P167-R170 WeakPolarHBondContact O-CB 3.29Å; P167-R170 PolarHBondContact O-N 3.1Å; E168-R170 PolarHBondContact O-N 3.05Å; R170-A173 PolarHBondContact O-N 3.02Å; R170-V174 WeakPolarHBondContact O-CG2 3.39Å; R170-V174 PolarHBondContact O-N 3.36Å
171K89.4Confident90.1Very high127 Ų12769.4 Ų69.455%0.55234%0.342SS*.Hα-helixtrans-60.4-46.5177.2-68.4176.7-174.6167.10111.2P167 E168 A173 V174 A175P167-K171 PolarHBondContact O-N 3.39Å; P167-K171 VanDerWaalsContact O-N 3.13Å; E168-K171 PolarHBondContact O-N 3.38Å; E168-K171 WeakPolarHBondContact OE1-CE 3.49Å; E168-K171 IonicContact OE1-NZ 2.77Å; E168-K171 PolarHBondContact OE1-NZ 2.82Å; E168-K171 IonicContact OE2-NZ 2.69Å; K171-A173 VanDerWaalsContact C-N 3.35Å; K171-A173 PolarHBondContact O-N 2.82Å; K171-V174 PolarHBondContact O-N 3.22Å; K171-A175 PolarHBondContact O-N 2.86Å
172M91.1Very high90.2Very high112 Ų11269.9 Ų69.955%0.55235%0.348SS*.Hα-helixtrans-61.4-41176.5-70-176.971.300112.5E168 V174 A175 K176E168-M172 WeakPolarHBondContact O-CG 3.4Å; E168-M172 PolarHBondContact O-N 3.32Å; M172-V174 VanDerWaalsContact C-N 3.35Å; M172-A175 PolarHBondContact O-N 2.64Å; M172-K176 WeakPolarHBondContact O-CB 3.46Å; M172-K176 WeakPolarHBondContact O-CG 3.38Å; M172-K176 PolarHBondContact O-N 2.96Å
173A92.3Very high90.4Very high11 Ų1169.9 Ų69.99%0.09135%0.349CS..Hα-helixtrans-63.1-41.4176.700000111.6V160 V162 S169 R170 K171 L177V160-A173 HydrophobicContact CG1-CB 3.97Å; V162-A173 HydrophobicContact CB-CB 4.04Å; V162-A173 HydrophobicContact CG2-CB 4.14Å; S169-A173 VanDerWaalsContact O-CB 3.31Å; S169-A173 WeakPolarHBondContact O-CB 3.39Å; S169-A173 PolarHBondContact O-N 2.85Å; R170-A173 PolarHBondContact O-N 3.02Å; K171-A173 VanDerWaalsContact C-N 3.35Å; K171-A173 PolarHBondContact O-N 2.82Å; A173-L177 VanDerWaalsContact O-CB 3.24Å; A173-L177 WeakPolarHBondContact O-CB 3.32Å; A173-L177 PolarHBondContact O-N 2.95Å
174V92.6Very high90.6Very high61 Ų6178.7 Ų78.737%0.3739%0.385SS..Hα-helixtrans-64.7-43.8175172.20000111.3R170 K171 M172 L177 I178 V213R170-V174 WeakPolarHBondContact O-CG2 3.39Å; R170-V174 PolarHBondContact O-N 3.36Å; K171-V174 PolarHBondContact O-N 3.22Å; M172-V174 VanDerWaalsContact C-N 3.35Å; V174-L177 WeakPolarHBondContact O-CB 3.46Å; V174-L177 PolarHBondContact O-N 3.05Å; V174-I178 HydrophobicContact CG1-CD1 3.9Å; V174-I178 HydrophobicContact CG1-CG1 4.48Å; V174-I178 WeakPolarHBondContact O-CG1 3.31Å; V174-I178 PolarHBondContact O-N 3.07Å; V174-V213 HydrophobicContact CG1-CG2 4.26Å
175A94.7Very high91.2Very high60 Ų6074.9 Ų74.950%0.49638%0.381SS..Hα-helixtrans-60.7-48.9177.200000111.9K171 M172 L177 I178 E179K171-A175 PolarHBondContact O-N 2.86Å; M172-A175 PolarHBondContact O-N 2.64Å; A175-L177 PolarHBondContact O-N 3.27Å; A175-I178 PolarHBondContact O-N 2.89Å; A175-E179 WeakPolarHBondContact O-CB 3.39Å; A175-E179 PolarHBondContact O-N 2.86Å
176K94.8Very high92Very high106 Ų10672.5 Ų72.546%0.46137%0.368SS..Hα-helixtrans-59.9-36.5174.4-75.7-178177.8-178.50112M172 R180M172-K176 WeakPolarHBondContact O-CB 3.46Å; M172-K176 WeakPolarHBondContact O-CG 3.38Å; M172-K176 PolarHBondContact O-N 2.96Å; K176-R180 WeakPolarHBondContact O-CB 3.44Å; K176-R180 WeakPolarHBondContact O-CG 3.36Å; K176-R180 PolarHBondContact O-N 2.71Å
177L95.2Very high92.5Very high9 Ų969.5 Ų69.55%0.04735%0.351CS..Hα-helixtrans-64.7-50.3177.5-177.470.8000111.2V139 A173 V174 A175 E179 R180 L181 M190 M192 G210 V213V139-L177 HydrophobicContact CG2-CD1 4.37Å; A173-L177 VanDerWaalsContact O-CB 3.24Å; A173-L177 WeakPolarHBondContact O-CB 3.32Å; A173-L177 PolarHBondContact O-N 2.95Å; V174-L177 WeakPolarHBondContact O-CB 3.46Å; V174-L177 PolarHBondContact O-N 3.05Å; A175-L177 PolarHBondContact O-N 3.27Å; L177-E179 VanDerWaalsContact C-N 3.33Å; L177-E179 PolarHBondContact O-N 2.81Å; L177-R180 PolarHBondContact O-N 3.47Å; L177-L181 HydrophobicContact CD1-CD1 4Å; L177-L181 HydrophobicContact CD1-CG 4.13Å; L177-L181 HydrophobicContact CD2-CD1 4.38Å; L177-L181 HydrophobicContact CG-CD1 3.83Å; L177-L181 HydrophobicContact CG-CG 4.25Å; L177-L181 WeakPolarHBondContact O-CB 3Å; L177-L181 VanDerWaalsContact O-CG 3.26Å; L177-L181 WeakPolarHBondContact O-CG 3.3Å; L177-L181 PolarHBondContact O-N 2.76Å; L177-M190 HydrophobicContact CD1-CE 3.63Å; L177-M190 HydrophobicContact CD1-SD 3.39Å; L177-M190 WeakPolarHBondContact CD1-SD 3.38Å; L177-M192 HydrophobicContact CD1-CE 3.15Å; L177-M192 HydrophobicContact CD1-SD 4.23Å; L177-M192 HydrophobicContact CD2-CE 3.93Å; L177-M192 HydrophobicContact CD2-SD 4.26Å; L177-M192 HydrophobicContact CG-CE 4.06Å; L177-G210 WeakPolarHBondContact CD2-O 3.29Å; L177-V213 HydrophobicContact CD2-CG2 4.33Å
178I96.3Very high93Very high65 Ų6567.7 Ų67.733%0.33334%0.34SS..Hα-helixtrans-59.3-46178.4-67.8167.8000110.4V174 A175 R180 L181 T182 V213 A214V174-I178 HydrophobicContact CG1-CD1 3.9Å; V174-I178 HydrophobicContact CG1-CG1 4.48Å; V174-I178 WeakPolarHBondContact O-CG1 3.31Å; V174-I178 PolarHBondContact O-N 3.07Å; A175-I178 PolarHBondContact O-N 2.89Å; I178-R180 VanDerWaalsContact C-N 3.34Å; I178-R180 PolarHBondContact O-N 3.26Å; I178-L181 PolarHBondContact O-N 3.27Å; I178-T182 HydrophobicContact CG2-CG2 4.35Å; I178-T182 WeakPolarHBondContact O-CB 3.1Å; I178-T182 WeakPolarHBondContact O-CG2 3.47Å; I178-T182 PolarHBondContact O-N 2.91Å; I178-T182 PolarHBondContact O-OG1 2.89Å; I178-V213 HydrophobicContact CD1-CG2 4.16Å; I178-V213 HydrophobicContact CG1-CG2 3.85Å; I178-A214 HydrophobicContact CG1-CB 4.39Å
179E95.9Very high93.4Very high107 Ų10763.7 Ų63.750%0.532%0.321SS..Hα-helixtrans-53.2-49.7175.6-173.9-153.9141.500111.7A175 L177 T182 S183A175-E179 WeakPolarHBondContact O-CB 3.39Å; A175-E179 PolarHBondContact O-N 2.86Å; L177-E179 VanDerWaalsContact C-N 3.33Å; L177-E179 PolarHBondContact O-N 2.81Å; E179-T182 PolarHBondContact O-OG1 2.89Å; E179-S183 WeakPolarHBondContact O-CB 3.2Å; E179-S183 PolarHBondContact O-N 3.36Å
180R95.7Very high93.9Very high29 Ų2962.7 Ų62.711%0.10931%0.314CS..Hα-helixtrans-68.2-43.7-178.3-70-178.5175.4-1593.7112.9Q158 K176 L177 I178 T182 S183 W187 M190Q158-R180 PolarHBondContact O-NH1 3.38Å; Q158-R180 PolarHBondContact O-NH2 2.72Å; Q158-R180 VanDerWaalsContact O-NH2 3.13Å; K176-R180 WeakPolarHBondContact O-CB 3.44Å; K176-R180 WeakPolarHBondContact O-CG 3.36Å; K176-R180 PolarHBondContact O-N 2.71Å; L177-R180 PolarHBondContact O-N 3.47Å; I178-R180 VanDerWaalsContact C-N 3.34Å; I178-R180 PolarHBondContact O-N 3.26Å; R180-T182 VanDerWaalsContact C-N 3.28Å; R180-T182 PolarHBondContact O-N 3.24Å; R180-S183 WeakPolarHBondContact O-CB 3.35Å; R180-S183 PolarHBondContact O-N 2.92Å; R180-S183 PolarHBondContact O-OG 2.88Å; R180-W187 HydrophobicContact CB-CB 4.05Å; R180-W187 HydrophobicContact CB-CG 3.96Å; R180-W187 HydrophobicContact CG-CB 4.18Å; R180-W187 HydrophobicContact CG-CD2 3.71Å; R180-W187 HydrophobicContact CG-CE3 4.38Å; R180-W187 HydrophobicContact CG-CG 3.59Å; R180-M190 HydrophobicContact CB-SD 3.96Å
181L95.9Very high94.4Very high5 Ų557.7 Ų57.73%0.02630%0.295CS..Hα-helixtrans-69.1-28.1-178-69-175.4000112.6P114 V115 L177 I178 M190 M192 A214 V216P114-L181 HydrophobicContact CB-CD2 4.35Å; V115-L181 HydrophobicContact CB-CD2 3.83Å; L177-L181 HydrophobicContact CD1-CD1 4Å; L177-L181 HydrophobicContact CD1-CG 4.13Å; L177-L181 HydrophobicContact CD2-CD1 4.38Å; L177-L181 HydrophobicContact CG-CD1 3.83Å; L177-L181 HydrophobicContact CG-CG 4.25Å; L177-L181 WeakPolarHBondContact O-CB 3Å; L177-L181 VanDerWaalsContact O-CG 3.26Å; L177-L181 WeakPolarHBondContact O-CG 3.3Å; L177-L181 PolarHBondContact O-N 2.76Å; I178-L181 PolarHBondContact O-N 3.27Å; L181-M190 HydrophobicContact CD2-CB 3.98Å; L181-M190 HydrophobicContact CD2-CG 3.79Å; L181-M190 HydrophobicContact CD2-SD 3.85Å; L181-M190 HydrophobicContact CG-SD 4.23Å; L181-M192 HydrophobicContact CD1-CE 4.32Å; L181-A214 HydrophobicContact CB-CB 3.87Å; L181-A214 HydrophobicContact CD1-CB 3.79Å; L181-A214 HydrophobicContact CG-CB 4.49Å; L181-V216 HydrophobicContact CB-CG2 4.15Å; L181-V216 HydrophobicContact CD1-CG2 4.4Å
182T96.1Very high94.8Very high71 Ų7152.5 Ų52.544%0.43627%0.273SS..THydrogen-bonded Turntrans-963.8179.360.10000113.4I178 E179 R180 K184 A214 V216I178-T182 HydrophobicContact CG2-CG2 4.35Å; I178-T182 WeakPolarHBondContact O-CB 3.1Å; I178-T182 WeakPolarHBondContact O-CG2 3.47Å; I178-T182 PolarHBondContact O-N 2.91Å; I178-T182 PolarHBondContact O-OG1 2.89Å; E179-T182 PolarHBondContact O-OG1 2.89Å; R180-T182 VanDerWaalsContact C-N 3.28Å; R180-T182 PolarHBondContact O-N 3.24Å; T182-K184 PolarHBondContact O-N 2.87Å; T182-A214 HydrophobicContact CG2-CB 4.43Å; T182-V216 HydrophobicContact CG2-CG1 4.17Å
183S94.6Very high95.1Very high28 Ų2848.3 Ų48.320%0.19625%0.252CS..SBendtrans-74.111.4-172.188.90000115E179 R180 G185 Y186 W187E179-S183 WeakPolarHBondContact O-CB 3.2Å; E179-S183 PolarHBondContact O-N 3.36Å; R180-S183 WeakPolarHBondContact O-CB 3.35Å; R180-S183 PolarHBondContact O-N 2.92Å; R180-S183 PolarHBondContact O-OG 2.88Å; S183-G185 PolarHBondContact O-N 3.08Å; S183-Y186 WeakPolarHBondContact O-CB 3.36Å; S183-Y186 PolarHBondContact O-N 3.03Å; S183-Y186 PolarHBondContact OG-N 3.28Å; S183-W187 PolarHBondContact OG-N 3.49Å
184K91.3Very high95.4Very high204 Ų20448 Ų4889%0.88725%0.249SC*.THydrogen-bonded Turntrans47.938.8180-58.8-176.8-178.8178.80114.1T182T182-K184 PolarHBondContact O-N 2.87Å
185G90.3Very high95.5Very high33 Ų3345.2 Ų45.234%0.3423%0.232SC..THydrogen-bonded Turntrans90.53.3176.900000116.3L110 S183L110-G185 WeakPolarHBondContact CD2-O 3.41Å; S183-G185 PolarHBondContact O-N 3.08Å
186Y94.3Very high95.3Very high131 Ų13143.4 Ų43.451%0.51422%0.22SC..SBendtrans-62-48169.8177.6-114.3000112.4P72 S183P72-Y186 WeakPolarHBondContact CD-OH 3.43Å; P72-Y186 HydrophobicContact CG-CD1 3.81Å; P72-Y186 HydrophobicContact CG-CD2 4.36Å; P72-Y186 HydrophobicContact CG-CE1 3.6Å; P72-Y186 HydrophobicContact CG-CE2 4.17Å; P72-Y186 HydrophobicContact CG-CG 4.2Å; P72-Y186 VanDerWaalsContact CG-O 3.31Å; P72-Y186 WeakPolarHBondContact CG-O 3.39Å; S183-Y186 WeakPolarHBondContact O-CB 3.36Å; S183-Y186 PolarHBondContact O-N 3.03Å; S183-Y186 PolarHBondContact OG-N 3.28Å
187W95.4Very high95.2Very high6 Ų639.9 Ų39.92%0.02321%0.207CC..SBendtrans-86.1145.5173.3-78.4100.6000112A70 P72 L110 Q158 R180 S183A70-W187 WeakPolarHBondContact O-CH2 3.45Å; A70-W187 WeakPolarHBondContact O-CZ2 3.38Å; P72-W187 HydrophobicContact CB-CD2 4.47Å; P72-W187 HydrophobicContact CB-CE3 4.11Å; P72-W187 HydrophobicContact CB-CZ3 4.24Å; P72-W187 HydrophobicContact CG-CD2 3.58Å; P72-W187 HydrophobicContact CG-CE3 3.7Å; P72-W187 HydrophobicContact CG-CG 4.03Å; P72-W187 HydrophobicContact CG-CH2 4.25Å; P72-W187 HydrophobicContact CG-CZ2 4.19Å; P72-W187 HydrophobicContact CG-CZ3 4.02Å; L110-W187 WeakPolarHBondContact CD2-O 3.4Å; Q158-W187 HydrophobicContact CB-CZ3 4.33Å; R180-W187 HydrophobicContact CB-CB 4.05Å; R180-W187 HydrophobicContact CB-CG 3.96Å; R180-W187 HydrophobicContact CG-CB 4.18Å; R180-W187 HydrophobicContact CG-CD2 3.71Å; R180-W187 HydrophobicContact CG-CE3 4.38Å; R180-W187 HydrophobicContact CG-CG 3.59Å; S183-W187 PolarHBondContact OG-N 3.49Å
188P95.1Very high95.1Very high28 Ų2840.3 Ų40.318%0.18221%0.21CC..PPolyproline II helixtrans-65.8159.4176.2-15.530000112.4T137 M190T137-P188 HydrophobicContact CG2-CB 4.13Å; T137-P188 HydrophobicContact CG2-CG 4.26Å; P188-M190 PolarHBondContact O-N 2.97Å
189Q96.5Very high95Very high15 Ų1537.2 Ų37.27%0.0719%0.194CC..PPolyproline II helixtrans-54.3136.8179.5-161.7175.547.300110.7A108 L110 A113 P114 L116 A136 T137A108-Q189 PolarHBondContact O-NE2 2.94Å; L110-Q189 HydrophobicContact CD1-CB 4Å; A113-Q189 PolarHBondContact O-NE2 3.37Å; P114-Q189 WeakPolarHBondContact O-CA 3.49Å; P114-Q189 WeakPolarHBondContact O-CG 3.45Å; L116-Q189 HydrophobicContact CD2-CG 4.4Å; L116-Q189 HydrophobicContact CG-CG 4.01Å; A136-Q189 CarbonylContact C-O 3.55Å; A136-Q189 WeakPolarHBondContact CA-O 3.26Å; A136-Q189 WeakPolarHBondContact CB-O 3.45Å; T137-Q189 PolarHBondContact N-O 3.09Å
190M97.8Very high94.8Very high1 Ų132.1 Ų32.11%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-95.1152.7178.1-58.8-156.166.700111.2P114 V115 L116 T137 V139 V160 L177 R180 L181 P188 M192P114-M190 PolarHBondContact O-N 3.28Å; V115-M190 CarbonylContact C-O 3.52Å; V115-M190 WeakPolarHBondContact CA-O 3.5Å; L116-M190 PolarHBondContact N-O 3.45Å; T137-M190 CarbonylContact O-C 3.58Å; T137-M190 VanDerWaalsContact O-CA 3.22Å; T137-M190 WeakPolarHBondContact O-CA 3.42Å; T137-M190 WeakPolarHBondContact OG1-CG 3.47Å; V139-M190 HydrophobicContact CG2-CE 4.19Å; V160-M190 HydrophobicContact CG2-CE 3.8Å; L177-M190 HydrophobicContact CD1-CE 3.63Å; L177-M190 HydrophobicContact CD1-SD 3.39Å; L177-M190 WeakPolarHBondContact CD1-SD 3.38Å; R180-M190 HydrophobicContact CB-SD 3.96Å; L181-M190 HydrophobicContact CD2-CB 3.98Å; L181-M190 HydrophobicContact CD2-CG 3.79Å; L181-M190 HydrophobicContact CD2-SD 3.85Å; L181-M190 HydrophobicContact CG-SD 4.23Å; P188-M190 PolarHBondContact O-N 2.97Å; M190-M192 HydrophobicContact CB-CE 4.21Å; M190-M192 HydrophobicContact CE-CE 4.49Å; M190-M192 HydrophobicContact SD-CE 4.46Å
191L98.1Very high94.7Very high2 Ų231.1 Ų31.11%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-127.8129.4174.8-175.6150000110L116 V118 V129 L130 T133 A136 T137 V138 F193L116-L191 HydrophobicContact CB-CB 4.48Å; L116-L191 HydrophobicContact CB-CG 4.43Å; L116-L191 HydrophobicContact CD1-CD1 4.42Å; L116-L191 WeakPolarHBondContact O-CA 3.49Å; V118-L191 HydrophobicContact CG2-CD1 3.75Å; V118-L191 HydrophobicContact CG2-CD2 3.81Å; V118-L191 HydrophobicContact CG2-CG 3.57Å; V129-L191 HydrophobicContact CG1-CD1 3.74Å; V129-L191 HydrophobicContact CG1-CD2 4.27Å; V129-L191 HydrophobicContact CG2-CD1 4.4Å; L130-L191 HydrophobicContact CD2-CD1 4.22Å; T133-L191 HydrophobicContact CG2-CD1 3.94Å; A136-L191 HydrophobicContact CB-CB 3.76Å; A136-L191 HydrophobicContact CB-CD1 4.43Å; T137-L191 PolarHBondContact O-N 2.97Å; V138-L191 HydrophobicContact CG1-CB 4.42Å; V138-L191 HydrophobicContact CG1-CD2 4.33Å; L191-F193 HydrophobicContact CD2-CD2 4.06Å; L191-F193 HydrophobicContact CD2-CE2 3.61Å; L191-F193 HydrophobicContact CD2-CZ 4.38Å
192M97.8Very high94.5Very high18 Ų1838.1 Ų38.19%0.08920%0.195CC..EExtended strand (participates in β ladder)trans-136.9143.5179.8-66.7-175.8-127.300111.8V115 L116 V117 V118 V139 L177 L181 M190 P194 A211V115-M192 HydrophobicContact CG2-CE 3.87Å; L116-M192 PolarHBondContact O-N 3.32Å; V117-M192 CarbonylContact C-O 3.53Å; V117-M192 WeakPolarHBondContact CA-O 3.33Å; V118-M192 PolarHBondContact N-O 3.29Å; V139-M192 HydrophobicContact CG2-CE 4.33Å; V139-M192 HydrophobicContact CG2-CG 3.99Å; V139-M192 HydrophobicContact CG2-SD 3.92Å; L177-M192 HydrophobicContact CD1-CE 3.15Å; L177-M192 HydrophobicContact CD1-SD 4.23Å; L177-M192 HydrophobicContact CD2-CE 3.93Å; L177-M192 HydrophobicContact CD2-SD 4.26Å; L177-M192 HydrophobicContact CG-CE 4.06Å; L181-M192 HydrophobicContact CD1-CE 4.32Å; M190-M192 HydrophobicContact CB-CE 4.21Å; M190-M192 HydrophobicContact CE-CE 4.49Å; M190-M192 HydrophobicContact SD-CE 4.46Å; M192-P194 VanDerWaalsContact O-CD 3.29Å; M192-P194 WeakPolarHBondContact O-CD 3.34Å; M192-A211 HydrophobicContact CB-CB 4.15Å; M192-A211 HydrophobicContact CE-CB 4.37Å; M192-A211 HydrophobicContact SD-CB 3.64Å
193F97.6Very high94.5Very high24 Ų2434.7 Ų34.711%0.10517%0.174CC..  trans-97.798166.6-69.8-91000108V118 H121 D126 M127 V129 L191 E195 G196 L223V118-F193 HydrophobicContact CB-CD1 3.82Å; V118-F193 HydrophobicContact CB-CE1 3.61Å; V118-F193 HydrophobicContact CB-CE2 4.43Å; V118-F193 HydrophobicContact CB-CG 4.38Å; V118-F193 HydrophobicContact CB-CZ 3.93Å; V118-F193 HydrophobicContact CG1-CD1 4.04Å; V118-F193 HydrophobicContact CG1-CE1 3.36Å; V118-F193 HydrophobicContact CG1-CZ 3.73Å; V118-F193 WeakPolarHBondContact O-CD1 2.93Å; H121-F193 HydrophobicContact CB-CB 4.01Å; H121-F193 HydrophobicContact CB-CD1 3.46Å; H121-F193 VanDerWaalsContact CB-CD1 3.46Å; H121-F193 HydrophobicContact CB-CE1 4.2Å; H121-F193 HydrophobicContact CB-CG 3.99Å; H121-F193 AromaticContact CD2-CG 3.97Å; H121-F193 AromaticContact CG-CD1 3.51Å; H121-F193 AromaticContact CG-CG 3.69Å; H121-F193 AromaticContact ND1-CD1 3.63Å; H121-F193 AromaticContact ND1-CE1 3.75Å; H121-F193 AromaticContact ND1-CG 3.9Å; D126-F193 HydrophobicContact CB-CE1 3.99Å; D126-F193 HydrophobicContact CB-CZ 3.72Å; M127-F193 HydrophobicContact CE-CD2 3.97Å; M127-F193 HydrophobicContact CE-CE2 3.38Å; M127-F193 HydrophobicContact CE-CZ 4.1Å; V129-F193 HydrophobicContact CG1-CZ 4.13Å; L191-F193 HydrophobicContact CD2-CD2 4.06Å; L191-F193 HydrophobicContact CD2-CE2 3.61Å; L191-F193 HydrophobicContact CD2-CZ 4.38Å; F193-E195 PolarHBondContact O-N 2.53Å; F193-E195 VanDerWaalsContact O-N 3.16Å; F193-G196 PolarHBondContact O-N 2.62Å; F193-L223 HydrophobicContact CE1-CD1 3.92Å; F193-L223 HydrophobicContact CZ-CD1 4.24Å
194P96.8Very high94.6Very high6 Ų633.4 Ų33.44%0.03917%0.165CC..THydrogen-bonded Turntrans-66.8-16.7-171.628.5-36.3000113.3V117 V118 M192 G196 F207 K208 F212V117-P194 HydrophobicContact CB-CG 4.3Å; V118-P194 WeakPolarHBondContact O-CD 3.48Å; M192-P194 VanDerWaalsContact O-CD 3.29Å; M192-P194 WeakPolarHBondContact O-CD 3.34Å; P194-G196 PolarHBondContact O-N 2.68Å; P194-F207 HydrophobicContact CB-CB 3.91Å; P194-F207 HydrophobicContact CB-CD1 4.08Å; P194-F207 HydrophobicContact CB-CD2 3.79Å; P194-F207 HydrophobicContact CB-CE2 4.31Å; P194-F207 HydrophobicContact CB-CG 3.66Å; P194-F207 HydrophobicContact CG-CB 4.42Å; P194-F207 HydrophobicContact CG-CD1 3.81Å; P194-F207 HydrophobicContact CG-CD2 3.43Å; P194-F207 VanDerWaalsContact CG-CD2 3.43Å; P194-F207 HydrophobicContact CG-CE1 3.82Å; P194-F207 HydrophobicContact CG-CE2 3.43Å; P194-F207 VanDerWaalsContact CG-CE2 3.43Å; P194-F207 HydrophobicContact CG-CG 3.62Å; P194-F207 HydrophobicContact CG-CZ 3.63Å; P194-K208 WeakPolarHBondContact O-CB 3.27Å; P194-K208 PolarHBondContact O-N 3.36Å; P194-F212 HydrophobicContact CB-CE2 3.88Å; P194-F212 HydrophobicContact CB-CZ 4.33Å
195E95.2Very high94.8Very high1 Ų123.7 Ų23.71%0.00512%0.123CC..THydrogen-bonded Turntrans-57-32.7168.4-68.2178.9-101.900112.2P120 H121 F193 T197 T199 I205 F207P120-E195 WeakPolarHBondContact CA-OE1 3.23Å; H121-E195 PolarHBondContact N-OE1 3.15Å; F193-E195 PolarHBondContact O-N 2.53Å; F193-E195 VanDerWaalsContact O-N 3.16Å; E195-T197 PolarHBondContact O-N 3.38Å; E195-T197 VanDerWaalsContact O-N 3.11Å; E195-T199 WeakPolarHBondContact OE2-CG2 3.4Å; E195-T199 PolarHBondContact OE2-OG1 3.03Å; E195-I205 HydrophobicContact CB-CD1 3.88Å; E195-I205 HydrophobicContact CB-CG1 3.76Å; E195-I205 HydrophobicContact CG-CD1 4.32Å; E195-I205 HydrophobicContact CG-CG1 3.64Å; E195-F207 HydrophobicContact CG-CD1 4.06Å; E195-F207 HydrophobicContact CG-CE1 3.74Å
196G90.5Very high95Very high23 Ų2324.6 Ų24.624%0.23712%0.118CC..  trans66.88.8178.100000115.4R164 F193 P194R164-G196 PolarHBondContact NH2-O 3Å; R164-G196 VanDerWaalsContact NH2-O 3.09Å; F193-G196 PolarHBondContact O-N 2.62Å; P194-G196 PolarHBondContact O-N 2.68Å
197T92Very high95.2Very high32 Ų3218.7 Ų18.720%0.1969%0.094CC..SBendtrans-157.5170.3173.3-164.60000109.3F17 H121 E195 T199 I205 M298F17-T197 HydrophobicContact CE1-CG2 3.9Å; H121-T197 WeakPolarHBondContact CB-O 3.45Å; H121-T197 PolarHBondContact CD2-O 3.46Å; E195-T197 PolarHBondContact O-N 3.38Å; E195-T197 VanDerWaalsContact O-N 3.11Å; T197-T199 HydrophobicContact CG2-CG2 4.44Å; T197-I205 HydrophobicContact CG2-CD1 3.47Å; T197-I205 VanDerWaalsContact CG2-CD1 3.47Å; T197-M298 HydrophobicContact CG2-CB 4.18Å; T197-M298 HydrophobicContact CG2-CG 3.45Å; T197-M298 VanDerWaalsContact CG2-CG 3.45Å
198T93.8Very high95.1Very high17 Ų1722.7 Ų22.710%0.10411%0.112CC..  trans-90.5146.3175.752.80000112.3H121 W234H121-T198 CarbonylContact O-C 3.44Å; H121-T198 WeakPolarHBondContact O-CA 3.44Å; T198-W234 WeakPolarHBondContact CB-O 3.49Å; T198-W234 HydrophobicContact CG2-CE3 4.45Å; T198-W234 PolarHBondContact OG1-O 3.05Å
199T94.3Very high95Very high0 Ų023.9 Ų23.90%012%0.12CC..  trans-138.2172.8-17768.10000110.9P16 F17 H121 S122 E195 T197 G201 I205P16-T199 CarbonylContact O-C 3.36Å; P16-T199 WeakPolarHBondContact O-CA 3.39Å; P16-T199 WeakPolarHBondContact O-CB 3.32Å; F17-T199 HydrophobicContact CD1-CG2 4.22Å; F17-T199 HydrophobicContact CE1-CG2 4.01Å; H121-T199 PolarHBondContact O-N 3.4Å; S122-T199 WeakPolarHBondContact CA-O 3.49Å; E195-T199 WeakPolarHBondContact OE2-CG2 3.4Å; E195-T199 PolarHBondContact OE2-OG1 3.03Å; T197-T199 HydrophobicContact CG2-CG2 4.44Å; T199-G201 PolarHBondContact OG1-N 3.22Å; T199-I205 HydrophobicContact CG2-CD1 3.83Å; T199-I205 HydrophobicContact CG2-CG1 4.02Å; T199-I205 HydrophobicContact CG2-CG2 3.75Å
200N92.8Very high94.8Very high1 Ų124.6 Ų24.61%0.00513%0.131CC..  trans-83.31.1174.56718.6000113H15 P16 V18 F19 R202 R233 T235H15-N200 PolarHBondContact O-ND2 2.9Å; P16-N200 WeakPolarHBondContact CA-OD1 3.39Å; P16-N200 VanDerWaalsContact O-CG 3.28Å; P16-N200 PolarHBondContact O-N 3.25Å; P16-N200 PolarHBondContact O-OD1 3.16Å; V18-N200 PolarHBondContact O-ND2 2.86Å; F19-N200 HydrophobicContact CB-CB 3.94Å; F19-N200 HydrophobicContact CD2-CB 4.06Å; F19-N200 HydrophobicContact CG-CB 4.33Å; N200-R202 HydrophobicContact CB-CG 4.47Å; N200-R202 PolarHBondContact O-N 3.18Å; N200-R202 VanDerWaalsContact OD1-CB 3.28Å; N200-R202 WeakPolarHBondContact OD1-CB 3.27Å; N200-R202 WeakPolarHBondContact OD1-CG 3.12Å; N200-R202 PolarHBondContact OD1-N 3.09Å; N200-R233 PolarHBondContact O-NE 2.97Å; N200-R233 PolarHBondContact O-NH2 3.28Å; N200-R233 VanDerWaalsContact O-NH2 3.13Å; N200-T235 HydrophobicContact CB-CG2 4.01Å
201G92.8Very high94.6Very high8 Ų824.7 Ų24.78%0.08213%0.132CC..SBendtrans59.114.7-17900000115.8T199 A203T199-G201 PolarHBondContact OG1-N 3.22Å; G201-A203 VanDerWaalsContact C-N 3.3Å
202R92.4Very high94.6Very high151 Ų15124.7 Ų24.757%0.5713%0.132SC*.SBendtrans-80.3-16.5172.6-62.4-178.770.7-177.90.1112.3P14 N200 P292P14-R202 HydrophobicContact CB-CB 4.03Å; P14-R202 HydrophobicContact CG-CB 3.84Å; N200-R202 HydrophobicContact CB-CG 4.47Å; N200-R202 PolarHBondContact O-N 3.18Å; N200-R202 VanDerWaalsContact OD1-CB 3.28Å; N200-R202 WeakPolarHBondContact OD1-CB 3.27Å; N200-R202 WeakPolarHBondContact OD1-CG 3.12Å; N200-R202 PolarHBondContact OD1-N 3.09Å; R202-P292 WeakPolarHBondContact O-CD 3.35Å
203A94.6Very high94.5Very high0 Ų025.9 Ų25.90%014%0.14CC..SBendtrans-146.8152168.800000107.5P16 G201 P292 T294P16-A203 HydrophobicContact CB-CB 4.38Å; G201-A203 VanDerWaalsContact C-N 3.3Å; A203-P292 CarbonylContact C-O 3.59Å; A203-P292 WeakPolarHBondContact CA-O 3.28Å; A203-P292 HydrophobicContact CB-CG 3.82Å; A203-T294 HydrophobicContact CB-CG2 3.92Å
204L96.8Very high94.5Very high0 Ų025.6 Ų25.60%014%0.143CC..BIsolated β-bridgetrans-86.4125.9165.1-66.9-170000108.9A119 P120 F207 Q282 M285 A286 L289 V291 P292 T294A119-L204 HydrophobicContact CB-CD1 4.4Å; A119-L204 HydrophobicContact CB-CD2 3.92Å; P120-L204 HydrophobicContact CB-CD2 4.16Å; P120-L204 HydrophobicContact CG-CD2 4.01Å; L204-F207 HydrophobicContact CB-CE1 4.45Å; L204-F207 HydrophobicContact CD1-CE1 4.2Å; L204-F207 HydrophobicContact CD1-CZ 3.92Å; L204-Q282 HydrophobicContact CB-CG 4.04Å; L204-Q282 HydrophobicContact CD1-CG 4.4Å; L204-Q282 PolarHBondContact O-NE2 3.41Å; L204-Q282 VanDerWaalsContact O-NE2 3.07Å; L204-M285 HydrophobicContact CD1-CB 3.73Å; L204-A286 HydrophobicContact CD1-CB 3.99Å; L204-A286 HydrophobicContact CG-CB 4.29Å; L204-L289 HydrophobicContact CD1-CD1 3.99Å; L204-L289 HydrophobicContact CD2-CD1 3.85Å; L204-L289 HydrophobicContact CG-CD1 4.06Å; L204-V291 HydrophobicContact CG-CG2 4.24Å; L204-P292 PolarHBondContact N-O 3.37Å; L204-T294 PolarHBondContact O-N 3.43Å; L204-T294 PolarHBondContact O-OG1 3.29Å
205I95.7Very high94.5Very high1 Ų126 Ų261%0.00515%0.147CC..PPolyproline II helixtrans-77.2164.9171.568.9166.1000110.1P16 F17 E195 T197 T199 F207 Q282 T294 H296P16-I205 HydrophobicContact CB-CG2 3.7Å; P16-I205 HydrophobicContact CG-CG2 3.63Å; F17-I205 HydrophobicContact CE1-CD1 3.89Å; F17-I205 HydrophobicContact CE1-CG2 3.99Å; F17-I205 HydrophobicContact CE2-CG2 4.27Å; F17-I205 HydrophobicContact CZ-CB 4.37Å; F17-I205 HydrophobicContact CZ-CD1 4.07Å; F17-I205 HydrophobicContact CZ-CG2 3.65Å; E195-I205 HydrophobicContact CB-CD1 3.88Å; E195-I205 HydrophobicContact CB-CG1 3.76Å; E195-I205 HydrophobicContact CG-CD1 4.32Å; E195-I205 HydrophobicContact CG-CG1 3.64Å; T197-I205 HydrophobicContact CG2-CD1 3.47Å; T197-I205 VanDerWaalsContact CG2-CD1 3.47Å; T199-I205 HydrophobicContact CG2-CD1 3.83Å; T199-I205 HydrophobicContact CG2-CG1 4.02Å; T199-I205 HydrophobicContact CG2-CG2 3.75Å; I205-F207 WeakPolarHBondContact O-CD1 3.05Å; I205-F207 PolarHBondContact O-N 3.04Å; I205-Q282 PolarHBondContact O-NE2 2.93Å; I205-T294 CarbonylContact C-O 3.57Å; I205-H296 HydrophobicContact CB-CB 4.27Å; I205-H296 WeakPolarHBondContact CB-O 3.32Å; I205-H296 HydrophobicContact CG2-CB 3.98Å
206K95.2Very high94.6Very high52 Ų5226.9 Ų26.923%0.22615%0.153CC..PPolyproline II helixtrans-53.5128.1-178.2-169.965.7159.5-168.80110.7D279 T294 D295 H296 V297K206-D279 WeakPolarHBondContact CD-OD1 3.14Å; K206-D279 WeakPolarHBondContact CE-OD1 3.31Å; K206-D279 IonicContact NZ-OD1 3.57Å; K206-D279 PolarHBondContact NZ-OD1 2.92Å; K206-D279 IonicContact NZ-OD2 3.9Å; K206-D279 PolarHBondContact NZ-OD2 3.13Å; K206-T294 PolarHBondContact N-O 2.87Å; K206-T294 VanDerWaalsContact N-O 3.13Å; K206-D295 WeakPolarHBondContact CD-OD1 3.49Å; K206-D295 WeakPolarHBondContact CE-OD1 3.5Å; K206-D295 IonicContact NZ-OD1 3.93Å; K206-D295 PolarHBondContact NZ-OD1 2.83Å; K206-H296 WeakPolarHBondContact CB-O 3.04Å; K206-H296 PolarHBondContact N-O 2.92Å; K206-V297 HydrophobicContact CB-CG1 3.58Å; K206-V297 HydrophobicContact CG-CG1 4.15Å
207F97.3Very high95Very high6 Ų627.5 Ų27.53%0.02615%0.153CC..PPolyproline II helixtrans-75.9135.3176.7-80.17.4000110.7A119 P194 E195 L204 I205 F212 A278 V281 Q282 M285A119-F207 HydrophobicContact CB-CE1 4.27Å; A119-F207 HydrophobicContact CB-CZ 3.83Å; P194-F207 HydrophobicContact CB-CB 3.91Å; P194-F207 HydrophobicContact CB-CD1 4.08Å; P194-F207 HydrophobicContact CB-CD2 3.79Å; P194-F207 HydrophobicContact CB-CE2 4.31Å; P194-F207 HydrophobicContact CB-CG 3.66Å; P194-F207 HydrophobicContact CG-CB 4.42Å; P194-F207 HydrophobicContact CG-CD1 3.81Å; P194-F207 HydrophobicContact CG-CD2 3.43Å; P194-F207 VanDerWaalsContact CG-CD2 3.43Å; P194-F207 HydrophobicContact CG-CE1 3.82Å; P194-F207 HydrophobicContact CG-CE2 3.43Å; P194-F207 VanDerWaalsContact CG-CE2 3.43Å; P194-F207 HydrophobicContact CG-CG 3.62Å; P194-F207 HydrophobicContact CG-CZ 3.63Å; E195-F207 HydrophobicContact CG-CD1 4.06Å; E195-F207 HydrophobicContact CG-CE1 3.74Å; L204-F207 HydrophobicContact CB-CE1 4.45Å; L204-F207 HydrophobicContact CD1-CE1 4.2Å; L204-F207 HydrophobicContact CD1-CZ 3.92Å; I205-F207 WeakPolarHBondContact O-CD1 3.05Å; I205-F207 PolarHBondContact O-N 3.04Å; F207-F212 HydrophobicContact CB-CE2 4.36Å; F207-F212 HydrophobicContact CD2-CE2 4.32Å; F207-F212 HydrophobicContact CD2-CZ 4.09Å; F207-A278 HydrophobicContact CB-CB 3.93Å; F207-V281 HydrophobicContact CE2-CG1 4.33Å; F207-Q282 HydrophobicContact CB-CB 4.33Å; F207-Q282 HydrophobicContact CD1-CB 4.19Å; F207-Q282 HydrophobicContact CD1-CG 3.9Å; F207-Q282 HydrophobicContact CD2-CB 3.63Å; F207-Q282 HydrophobicContact CD2-CG 4.25Å; F207-Q282 HydrophobicContact CE1-CB 4.42Å; F207-Q282 HydrophobicContact CE1-CG 4.02Å; F207-Q282 HydrophobicContact CE2-CB 3.9Å; F207-Q282 HydrophobicContact CE2-CG 4.36Å; F207-Q282 HydrophobicContact CG-CB 3.79Å; F207-Q282 HydrophobicContact CG-CG 4.03Å; F207-Q282 HydrophobicContact CZ-CB 4.3Å; F207-Q282 HydrophobicContact CZ-CG 4.25Å; F207-M285 HydrophobicContact CE2-SD 3.57Å; F207-M285 VanDerWaalsContact CE2-SD 3.57Å; F207-M285 HydrophobicContact CZ-SD 3.78Å
208K93.8Very high95.3Very high90 Ų9026 Ų2639%0.39114%0.144SC..PPolyproline II helixtrans-74.5139.7173.8-63-172.5-179.8-172.40109.6P194 G210P194-K208 WeakPolarHBondContact O-CB 3.27Å; P194-K208 PolarHBondContact O-N 3.36Å; K208-G210 PolarHBondContact O-N 3.05Å; K208-G210 VanDerWaalsContact O-N 3.08Å
209P94Very high95.5Very high53 Ų5325.4 Ų25.434%0.34414%0.139SC..G310 helixtrans-68.6-12.3-175.526.6-35000113.6A211 F212 V213 P274P209-A211 VanDerWaalsContact C-N 3.3Å; P209-A211 PolarHBondContact O-N 3.45Å; P209-A211 VanDerWaalsContact O-N 3.15Å; P209-F212 CarbonylContact O-C 3.47Å; P209-F212 WeakPolarHBondContact O-CA 3.49Å; P209-F212 WeakPolarHBondContact O-CB 3.46Å; P209-F212 PolarHBondContact O-N 3.14Å; P209-V213 VanDerWaalsContact O-CG1 3.29Å; P209-V213 WeakPolarHBondContact O-CG1 3.3Å; P209-V213 PolarHBondContact O-N 2.74Å; P209-V213 VanDerWaalsContact O-N 3.08Å; P209-P274 HydrophobicContact CB-CB 3.84Å
210G92Very high95.7Very high30 Ų3025.4 Ų25.431%0.30914%0.14SC..G310 helixtrans-51.2-41-173.300000114.9L177 K208 F212 V213L177-G210 WeakPolarHBondContact CD2-O 3.29Å; K208-G210 PolarHBondContact O-N 3.05Å; K208-G210 VanDerWaalsContact O-N 3.08Å; G210-F212 PolarHBondContact O-N 3.07Å; G210-V213 WeakPolarHBondContact O-CG2 3.23Å
211A93.4Very high96Very high4 Ų425.4 Ų25.43%0.03314%0.14CC..G310 helixtrans-72.9-13.4178.500000113.9V117 M192 P209V117-A211 HydrophobicContact CG1-CB 3.88Å; M192-A211 HydrophobicContact CB-CB 4.15Å; M192-A211 HydrophobicContact CE-CB 4.37Å; M192-A211 HydrophobicContact SD-CB 3.64Å; P209-A211 VanDerWaalsContact C-N 3.3Å; P209-A211 PolarHBondContact O-N 3.45Å; P209-A211 VanDerWaalsContact O-N 3.15Å
212F97.7Very high96.3Very high1 Ų125 Ų250%0.00414%0.136CC..THydrogen-bonded Turntrans-112.1-12.2-168.6-54.9-81.1000112.7V117 P194 F207 P209 G210 A214 G215 V218 P274 Y277 A278 V281V117-F212 HydrophobicContact CG1-CE1 4.27Å; V117-F212 HydrophobicContact CG1-CZ 4.08Å; P194-F212 HydrophobicContact CB-CE2 3.88Å; P194-F212 HydrophobicContact CB-CZ 4.33Å; F207-F212 HydrophobicContact CB-CE2 4.36Å; F207-F212 HydrophobicContact CD2-CE2 4.32Å; F207-F212 HydrophobicContact CD2-CZ 4.09Å; P209-F212 CarbonylContact O-C 3.47Å; P209-F212 WeakPolarHBondContact O-CA 3.49Å; P209-F212 WeakPolarHBondContact O-CB 3.46Å; P209-F212 PolarHBondContact O-N 3.14Å; G210-F212 PolarHBondContact O-N 3.07Å; F212-A214 PolarHBondContact O-N 3.24Å; F212-A214 VanDerWaalsContact O-N 3.1Å; F212-G215 PolarHBondContact O-N 3.18Å; F212-V218 HydrophobicContact CD1-CG1 4.14Å; F212-V218 HydrophobicContact CE1-CG1 4.16Å; F212-V218 HydrophobicContact CE1-CG2 4.23Å; F212-P274 HydrophobicContact CB-CB 4.35Å; F212-Y277 HydrophobicContact CB-CD1 3.63Å; F212-Y277 HydrophobicContact CB-CE1 4.25Å; F212-Y277 HydrophobicContact CB-CG 4.03Å; F212-Y277 AromaticContact CD1-CD1 3.75Å; F212-Y277 HydrophobicContact CD1-CD1 3.75Å; F212-Y277 AromaticContact CD1-CD2 3.88Å; F212-Y277 HydrophobicContact CD1-CD2 3.88Å; F212-Y277 AromaticContact CD1-CE1 3.86Å; F212-Y277 HydrophobicContact CD1-CE1 3.86Å; F212-Y277 AromaticContact CD1-CE2 3.94Å; F212-Y277 HydrophobicContact CD1-CE2 3.94Å; F212-Y277 AromaticContact CD1-CG 3.75Å; F212-Y277 HydrophobicContact CD1-CG 3.75Å; F212-Y277 AromaticContact CD1-CZ 3.96Å; F212-Y277 HydrophobicContact CE1-CD2 4.44Å; F212-Y277 HydrophobicContact CE1-CE2 4.34Å; F212-Y277 HydrophobicContact CG-CD1 4.15Å; F212-Y277 HydrophobicContact CG-CG 4.24Å; F212-A278 HydrophobicContact CD2-CB 3.45Å; F212-A278 VanDerWaalsContact CD2-CB 3.45Å; F212-A278 HydrophobicContact CE2-CB 3.59Å; F212-A278 HydrophobicContact CG-CB 4.07Å; F212-A278 HydrophobicContact CZ-CB 4.32Å; F212-V281 HydrophobicContact CD1-CG2 4.4Å; F212-V281 HydrophobicContact CE1-CB 3.84Å; F212-V281 HydrophobicContact CE1-CG1 3.97Å; F212-V281 HydrophobicContact CE1-CG2 3.7Å; F212-V281 HydrophobicContact CZ-CB 4.11Å; F212-V281 HydrophobicContact CZ-CG1 4.08Å; F212-V281 HydrophobicContact CZ-CG2 4.47Å
213V96.4Very high96.6Very high43 Ų4318 Ų1826%0.26111%0.109SC..THydrogen-bonded Turntrans-57.8-26.1-177.5-60.50000114.6V174 L177 I178 P209 G210 G215 P274V174-V213 HydrophobicContact CG1-CG2 4.26Å; L177-V213 HydrophobicContact CD2-CG2 4.33Å; I178-V213 HydrophobicContact CD1-CG2 4.16Å; I178-V213 HydrophobicContact CG1-CG2 3.85Å; P209-V213 VanDerWaalsContact O-CG1 3.29Å; P209-V213 WeakPolarHBondContact O-CG1 3.3Å; P209-V213 PolarHBondContact O-N 2.74Å; P209-V213 VanDerWaalsContact O-N 3.08Å; G210-V213 WeakPolarHBondContact O-CG2 3.23Å; V213-G215 VanDerWaalsContact C-N 3.3Å; V213-P274 HydrophobicContact CB-CG 4.5Å; V213-P274 HydrophobicContact CG1-CB 4.22Å; V213-P274 HydrophobicContact CG1-CG 4.38Å
214A96.3Very high96.7Very high19 Ų1921.4 Ų21.416%0.15712%0.122CC..THydrogen-bonded Turntrans-80.4-9.1-179.300000113.4I178 L181 T182 F212 V216I178-A214 HydrophobicContact CG1-CB 4.39Å; L181-A214 HydrophobicContact CB-CB 3.87Å; L181-A214 HydrophobicContact CD1-CB 3.79Å; L181-A214 HydrophobicContact CG-CB 4.49Å; T182-A214 HydrophobicContact CG2-CB 4.43Å; F212-A214 PolarHBondContact O-N 3.24Å; F212-A214 VanDerWaalsContact O-N 3.1Å; A214-V216 HydrophobicContact CB-CG1 4.25Å; A214-V216 HydrophobicContact CB-CG2 4.11Å; A214-V216 PolarHBondContact O-N 3.31Å; A214-V216 VanDerWaalsContact O-N 3.13Å
215G97.2Very high96.6Very high13 Ų1322.3 Ų22.313%0.13413%0.126CC..  trans6220.3179.900000114.5F212 V213 P266F212-G215 PolarHBondContact O-N 3.18Å; V213-G215 VanDerWaalsContact C-N 3.3Å; G215-P266 WeakPolarHBondContact O-CG 3.27Å
216V97.6Very high96.4Very high21 Ų2126.1 Ų26.113%0.12715%0.151CC..  trans-92.4160.4179.2-62.80000111.3P114 V115 L181 T182 A214 Y277P114-V216 HydrophobicContact CG-CB 3.84Å; P114-V216 HydrophobicContact CG-CG1 4.44Å; P114-V216 HydrophobicContact CG-CG2 3.61Å; V115-V216 HydrophobicContact CG1-CG2 4.34Å; L181-V216 HydrophobicContact CB-CG2 4.15Å; L181-V216 HydrophobicContact CD1-CG2 4.4Å; T182-V216 HydrophobicContact CG2-CG1 4.17Å; A214-V216 HydrophobicContact CB-CG1 4.25Å; A214-V216 HydrophobicContact CB-CG2 4.11Å; A214-V216 PolarHBondContact O-N 3.31Å; A214-V216 VanDerWaalsContact O-N 3.13Å; V216-Y277 PolarHBondContact O-OH 3.32Å
217P98.3Very high96.1Very high36 Ų3624.8 Ų24.823%0.23415%0.146CC..  trans-57.5139.3172.6-24.735.1000112.4E112 P114 V263 Y264 N265E112-P217 WeakPolarHBondContact O-CB 3.4Å; P114-P217 WeakPolarHBondContact CD-O 3.32Å; P217-V263 HydrophobicContact CB-CG1 3.86Å; P217-Y264 WeakPolarHBondContact CA-O 3.25Å; P217-N265 WeakPolarHBondContact CG-OD1 3.48Å
218V98.6Very high95.6Very high0 Ų034.7 Ų34.70%019%0.189CC..EExtended strand (participates in β ladder)trans-115149.1174-53.60000109.9V115 V117 F212 Y264 Y277 V281V115-V218 HydrophobicContact CG1-CB 3.78Å; V115-V218 HydrophobicContact CG1-CG1 3.24Å; V115-V218 WeakPolarHBondContact O-CA 3.12Å; V117-V218 HydrophobicContact CG1-CB 4.25Å; V117-V218 HydrophobicContact CG1-CG1 4.3Å; V117-V218 HydrophobicContact CG2-CB 4.22Å; V117-V218 HydrophobicContact CG2-CG2 3.99Å; F212-V218 HydrophobicContact CD1-CG1 4.14Å; F212-V218 HydrophobicContact CE1-CG1 4.16Å; F212-V218 HydrophobicContact CE1-CG2 4.23Å; V218-Y264 PolarHBondContact N-O 3.37Å; V218-Y264 PolarHBondContact O-N 2.98Å; V218-Y277 HydrophobicContact CG1-CE1 4.37Å; V218-Y277 VanDerWaalsContact CG1-OH 3.32Å; V218-Y277 WeakPolarHBondContact CG1-OH 3.38Å; V218-Y277 HydrophobicContact CG2-CE2 4.27Å; V218-Y277 PolarHBondContact N-OH 3.27Å; V218-V281 HydrophobicContact CG2-CG1 4.39Å; V218-V281 HydrophobicContact CG2-CG2 4.1Å
219Q98.8Very high95.3Very high4 Ų431.7 Ų31.72%0.01918%0.178CC..EExtended strand (participates in β ladder)trans-105.7114.8164.4-172.3175.338.100110.1R106 A108 A113 V115 L116 V117 L261 V263R106-Q219 PolarHBondContact O-NE2 3.27Å; A108-Q219 HydrophobicContact CB-CB 4.26Å; A108-Q219 HydrophobicContact CB-CG 4.37Å; A108-Q219 VanDerWaalsContact CB-OE1 3.26Å; A113-Q219 HydrophobicContact CB-CB 3.89Å; V115-Q219 PolarHBondContact O-N 3.44Å; L116-Q219 WeakPolarHBondContact CA-O 3.31Å; L116-Q219 HydrophobicContact CD2-CB 3.74Å; L116-Q219 HydrophobicContact CD2-CG 4.41Å; V117-Q219 PolarHBondContact N-O 2.92Å; Q219-L261 WeakPolarHBondContact CG-O 3.44Å; Q219-L261 PolarHBondContact NE2-O 3.22Å; Q219-V263 HydrophobicContact CB-CG2 4.49Å
220P98.8Very high95Very high1 Ų130.9 Ų30.91%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-69.4135.3171.8-16.230.5000111.9V117 L261 P262 V281 L284 M285V117-P220 HydrophobicContact CG2-CB 4.23Å; V117-P220 HydrophobicContact CG2-CG 4.4Å; V117-P220 CarbonylContact O-C 3.59Å; V117-P220 WeakPolarHBondContact O-CA 3.39Å; P220-L261 HydrophobicContact CB-CB 4.09Å; P220-L261 HydrophobicContact CB-CD1 4.04Å; P220-L261 HydrophobicContact CB-CG 4.32Å; P220-L261 HydrophobicContact CG-CB 4.44Å; P220-L261 PolarHBondContact O-N 3.42Å; P220-P262 WeakPolarHBondContact CD-O 3.25Å; P220-V281 HydrophobicContact CG-CG1 4.25Å; P220-L284 HydrophobicContact CB-CD2 4.47Å; P220-L284 HydrophobicContact CG-CD2 4.13Å; P220-M285 HydrophobicContact CB-CE 4.08Å; P220-M285 HydrophobicContact CB-CG 3.67Å; P220-M285 HydrophobicContact CB-SD 3.83Å
221V98.8Very high94.9Very high0 Ų029.6 Ų29.60%016%0.157CC..EExtended strand (participates in β ladder)trans-127.5121.9179.9-173.50000109.3L116 V117 V118 A119 V129 V258 E259 Y260 M285L116-V221 HydrophobicContact CB-CG2 4.13Å; L116-V221 HydrophobicContact CD2-CG2 4.35Å; V117-V221 PolarHBondContact O-N 3.19Å; V118-V221 VanDerWaalsContact CA-O 3.31Å; V118-V221 WeakPolarHBondContact CA-O 3.45Å; V118-V221 HydrophobicContact CG1-CB 4.46Å; V118-V221 HydrophobicContact CG2-CB 4.11Å; A119-V221 PolarHBondContact N-O 2.95Å; V129-V221 HydrophobicContact CG2-CG1 4.45Å; V221-V258 HydrophobicContact CG1-CG1 3.56Å; V221-E259 CarbonylContact C-O 3.17Å; V221-E259 WeakPolarHBondContact CA-O 3.37Å; V221-Y260 HydrophobicContact CG1-CD1 4.21Å; V221-Y260 HydrophobicContact CG1-CE1 4.1Å; V221-Y260 HydrophobicContact CG2-CD1 3.68Å; V221-Y260 HydrophobicContact CG2-CE1 3.81Å; V221-M285 WeakPolarHBondContact O-CE 3.36Å
222L98.8Very high94.8Very high0 Ų029.5 Ų29.50%016%0.156CC..EExtended strand (participates in β ladder)trans-96.4132.1-179.4-53.1-175.4000111.3A119 E259 L261 M285 A288 L289A119-L222 CarbonylContact O-C 3.56Å; A119-L222 VanDerWaalsContact O-CA 3.23Å; A119-L222 WeakPolarHBondContact O-CA 3.39Å; L222-E259 HydrophobicContact CB-CB 4.13Å; L222-E259 HydrophobicContact CB-CG 4.46Å; L222-E259 HydrophobicContact CD1-CG 4.46Å; L222-E259 PolarHBondContact N-O 3.23Å; L222-E259 PolarHBondContact O-N 3.4Å; L222-L261 HydrophobicContact CD1-CD1 4.07Å; L222-L261 HydrophobicContact CD1-CD2 3.96Å; L222-L261 HydrophobicContact CD1-CG 4.22Å; L222-L261 HydrophobicContact CD2-CD1 4.2Å; L222-L261 HydrophobicContact CG-CD1 4.08Å; L222-L261 HydrophobicContact CG-CD2 4.28Å; L222-L261 HydrophobicContact CG-CG 4.08Å; L222-M285 HydrophobicContact CD2-CB 3.91Å; L222-M285 HydrophobicContact CD2-CE 3.61Å; L222-M285 HydrophobicContact CD2-CG 4.02Å; L222-A288 HydrophobicContact CD1-CB 3.71Å; L222-L289 HydrophobicContact CB-CD2 4.03Å; L222-L289 HydrophobicContact CD1-CD2 4.02Å; L222-L289 HydrophobicContact CD1-CG 4Å; L222-L289 HydrophobicContact CD2-CD1 4.14Å; L222-L289 HydrophobicContact CD2-CD2 4.19Å; L222-L289 HydrophobicContact CD2-CG 3.88Å; L222-L289 HydrophobicContact CG-CD2 4.31Å; L222-L289 HydrophobicContact CG-CG 4.38Å
223L98.4Very high94.5Very high4 Ų431.2 Ų31.22%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-102133.8171.2-58.2-170000110.7V118 A119 P120 D126 V129 F193 M256 V258V118-L223 HydrophobicContact CG1-CD1 3.66Å; V118-L223 HydrophobicContact CG1-CD2 3.91Å; V118-L223 HydrophobicContact CG1-CG 3.52Å; A119-L223 PolarHBondContact O-N 2.69Å; P120-L223 WeakPolarHBondContact CD-O 3.44Å; D126-L223 HydrophobicContact CB-CD1 3.75Å; V129-L223 HydrophobicContact CB-CD2 4.23Å; V129-L223 HydrophobicContact CG2-CD2 3.85Å; F193-L223 HydrophobicContact CE1-CD1 3.92Å; F193-L223 HydrophobicContact CZ-CD1 4.24Å; L223-M256 HydrophobicContact CD1-CE 3.75Å; L223-M256 HydrophobicContact CD2-CE 3.4Å; L223-M256 VanDerWaalsContact CD2-CE 3.4Å; L223-M256 HydrophobicContact CG-CE 4.08Å; L223-V258 HydrophobicContact CD2-CG1 4.45Å; L223-V258 HydrophobicContact CD2-CG2 3.98Å
224R96.8Very high94.2Very high72 Ų7233.9 Ų33.927%0.27217%0.168SC..EExtended strand (participates in β ladder)trans-134.7141172.6-51.9179.7-171.8-92.45.9110.8P226 M256 T257 E259 A288 L289R224-P226 VanDerWaalsContact O-CD 3.27Å; R224-P226 WeakPolarHBondContact O-CD 3.43Å; R224-M256 CarbonylContact O-C 3.56Å; R224-T257 PolarHBondContact N-O 3.11Å; R224-T257 PolarHBondContact O-N 3.42Å; R224-E259 IonicContact CZ-OE2 3.31Å; R224-E259 IonicContact NE-OE2 2.93Å; R224-E259 PolarHBondContact NE-OE2 3.25Å; R224-E259 IonicContact NH2-OE2 2.69Å; R224-E259 PolarHBondContact NH2-OE2 3.36Å; R224-E259 VanDerWaalsContact NH2-OE2 3.1Å; R224-A288 PolarHBondContact NH2-O 3.06Å; R224-L289 HydrophobicContact CG-CD2 4.49Å; R224-L289 PolarHBondContact NH1-O 2.82Å; R224-L289 VanDerWaalsContact NH1-O 3.14Å
225Y94.5Very high93.9Very high18 Ų1833.3 Ų33.37%0.07116%0.162CC..  trans-114.983.1175.2-65.4-71.7000109.3F98 D126 N227 V232 M256F98-Y225 HydrophobicContact CE1-CD1 4.46Å; F98-Y225 AromaticContact CE1-CE1 3.99Å; F98-Y225 HydrophobicContact CE1-CE1 3.99Å; D126-Y225 WeakPolarHBondContact CA-OH 3.37Å; D126-Y225 WeakPolarHBondContact OD1-CE2 3.31Å; D126-Y225 PolarHBondContact OD1-OH 3.36Å; Y225-N227 PolarHBondContact O-N 3.45Å; Y225-V232 HydrophobicContact CD1-CB 4.33Å; Y225-V232 HydrophobicContact CD1-CG1 4.23Å; Y225-V232 HydrophobicContact CD1-CG2 3.99Å; Y225-V232 HydrophobicContact CD2-CB 4.39Å; Y225-V232 HydrophobicContact CD2-CG1 4.24Å; Y225-V232 HydrophobicContact CE1-CB 4.4Å; Y225-V232 HydrophobicContact CE1-CG1 3.81Å; Y225-V232 HydrophobicContact CE1-CG2 4.23Å; Y225-V232 HydrophobicContact CE2-CB 4.44Å; Y225-V232 HydrophobicContact CE2-CG1 3.8Å; Y225-V232 HydrophobicContact CG-CB 4.33Å; Y225-V232 HydrophobicContact CG-CG1 4.43Å; Y225-V232 HydrophobicContact CG-CG2 4.33Å; Y225-M256 HydrophobicContact CD1-CB 4.36Å; Y225-M256 HydrophobicContact CD1-CG 4.48Å; Y225-M256 HydrophobicContact CE1-CB 4.06Å; Y225-M256 HydrophobicContact CE1-CG 3.89Å; Y225-M256 HydrophobicContact CE1-SD 4.44Å
226P91.8Very high93.1Very high81 Ų8137.9 Ų37.953%0.52618%0.176SC..  trans-78.551.8-175.535.5-38.2000111.6R224 N255R224-P226 VanDerWaalsContact O-CD 3.27Å; R224-P226 WeakPolarHBondContact O-CD 3.43Å; P226-N255 HydrophobicContact CG-CB 4.18Å
227N89.6Confident92.3Very high24 Ų2441.5 Ų41.513%0.12819%0.19CC..  trans-99.2143.2-178.1-58.9-64.6000109.6Y225 V229 N255Y225-N227 PolarHBondContact O-N 3.45Å; N227-V229 WeakPolarHBondContact CB-O 3.43Å; N227-V229 PolarHBondContact O-N 2.94Å; N227-N255 PolarHBondContact ND2-O 2.7Å; N227-N255 PolarHBondContact OD1-N 2.77Å
228K85.5Confident91.6Very high215 Ų21541.8 Ų41.894%0.93520%0.199SC*.SBendtrans-61-35.4176.4-71.1-173177.8-176.40112
229V87.7Confident90.8Very high27 Ų2742.5 Ų42.516%0.16421%0.206CC..SBendtrans-117.9123.1175-172.80000107.3L23 N227 T231 Q251L23-V229 HydrophobicContact CD2-CG1 3.36Å; N227-V229 WeakPolarHBondContact CB-O 3.43Å; N227-V229 PolarHBondContact O-N 2.94Å; V229-T231 HydrophobicContact CG1-CG2 3.78Å; V229-Q251 PolarHBondContact O-NE2 3.21Å
230D88.6Confident90.3Very high36 Ų3644.3 Ų44.319%0.19322%0.219CC..  trans-97.1109.6-175.8-179.89.2000110F19 R233F19-D230 WeakPolarHBondContact CE1-O 3.2Å; F19-D230 HydrophobicContact CZ-CB 3.88Å; F19-D230 VanDerWaalsContact CZ-OD2 3.31Å; F19-D230 WeakPolarHBondContact CZ-OD2 3.11Å; D230-R233 IonicContact OD1-CZ 2.76Å; D230-R233 IonicContact OD1-NH1 3.64Å; D230-R233 PolarHBondContact OD1-NH1 2.86Å; D230-R233 WeakPolarHBondContact OD2-CD 3.18Å; D230-R233 IonicContact OD2-CZ 3.71Å; D230-R233 IonicContact OD2-NE 3.63Å; D230-R233 PolarHBondContact OD2-NE 3.24Å; D230-R233 VanDerWaalsContact OD2-NE 3.09Å; D230-R233 IonicContact OD2-NH1 3.8Å; D230-R233 PolarHBondContact OD2-NH1 2.93Å; D230-R233 IonicContact OD2-NH2 2.8Å
231T89.8Confident89.7Confident3 Ų351.4 Ų51.42%0.01825%0.246CC..  trans-125.61.5-171.6620000112.9V21 V229 H247 T248 Q251V21-T231 HydrophobicContact CG1-CG2 4.32Å; V229-T231 HydrophobicContact CG1-CG2 3.78Å; T231-H247 HydrophobicContact CG2-CB 3.58Å; T231-T248 WeakPolarHBondContact CB-OG1 3.4Å; T231-T248 PolarHBondContact O-OG1 3.25Å; T231-T248 VanDerWaalsContact OG1-CA 3.25Å; T231-T248 WeakPolarHBondContact OG1-CA 3.47Å; T231-T248 PolarHBondContact OG1-N 3.36Å; T231-T248 PolarHBondContact OG1-OG1 3.26Å; T231-Q251 PolarHBondContact OG1-NE2 2.93Å
232V90.4Very high89.3Confident1 Ų154.7 Ų54.71%0.00627%0.266CS..  trans-89-24.5-171.9-179.90000111.6F98 L125 Y225 W234 T248 T254F98-V232 HydrophobicContact CE1-CG2 4.49Å; F98-V232 HydrophobicContact CZ-CG2 4.17Å; L125-V232 HydrophobicContact CB-CG1 3.87Å; L125-V232 HydrophobicContact CD1-CG1 4.09Å; L125-V232 HydrophobicContact CD1-CG2 4.5Å; Y225-V232 HydrophobicContact CD1-CB 4.33Å; Y225-V232 HydrophobicContact CD1-CG1 4.23Å; Y225-V232 HydrophobicContact CD1-CG2 3.99Å; Y225-V232 HydrophobicContact CD2-CB 4.39Å; Y225-V232 HydrophobicContact CD2-CG1 4.24Å; Y225-V232 HydrophobicContact CE1-CB 4.4Å; Y225-V232 HydrophobicContact CE1-CG1 3.81Å; Y225-V232 HydrophobicContact CE1-CG2 4.23Å; Y225-V232 HydrophobicContact CE2-CB 4.44Å; Y225-V232 HydrophobicContact CE2-CG1 3.8Å; Y225-V232 HydrophobicContact CG-CB 4.33Å; Y225-V232 HydrophobicContact CG-CG1 4.43Å; Y225-V232 HydrophobicContact CG-CG2 4.33Å; V232-W234 PolarHBondContact O-N 3.2Å; V232-T248 HydrophobicContact CG2-CG2 4.48Å; V232-T254 HydrophobicContact CG2-CG2 3.81Å
233R91.2Very high88.9Confident38 Ų3858.1 Ų58.114%0.14328%0.284CS..  trans-70.7121.8-176.1-72.4166.9169.764.40.7111.2F19 S122 N200 D230F19-R233 HydrophobicContact CB-CB 4.46Å; F19-R233 HydrophobicContact CD1-CB 3.55Å; F19-R233 HydrophobicContact CD1-CG 4.42Å; F19-R233 HydrophobicContact CE1-CB 3.86Å; F19-R233 HydrophobicContact CE1-CG 4.46Å; F19-R233 HydrophobicContact CG-CB 3.95Å; S122-R233 WeakPolarHBondContact O-CA 2.92Å; N200-R233 PolarHBondContact O-NE 2.97Å; N200-R233 PolarHBondContact O-NH2 3.28Å; N200-R233 VanDerWaalsContact O-NH2 3.13Å; D230-R233 IonicContact OD1-CZ 2.76Å; D230-R233 IonicContact OD1-NH1 3.64Å; D230-R233 PolarHBondContact OD1-NH1 2.86Å; D230-R233 WeakPolarHBondContact OD2-CD 3.18Å; D230-R233 IonicContact OD2-CZ 3.71Å; D230-R233 IonicContact OD2-NE 3.63Å; D230-R233 PolarHBondContact OD2-NE 3.24Å; D230-R233 VanDerWaalsContact OD2-NE 3.09Å; D230-R233 IonicContact OD2-NH1 3.8Å; D230-R233 PolarHBondContact OD2-NH1 2.93Å; D230-R233 IonicContact OD2-NH2 2.8Å
234W90.8Very high88.6Confident99 Ų9958 Ų5838%0.37528%0.283SS..  trans-118.196.8172.8172.943000108.5S122 F124 T198 V232S122-W234 PolarHBondContact O-N 2.91Å; F124-W234 HydrophobicContact CD1-CD2 4.42Å; F124-W234 AromaticContact CD1-CE3 3.96Å; F124-W234 HydrophobicContact CD1-CE3 3.96Å; T198-W234 WeakPolarHBondContact CB-O 3.49Å; T198-W234 HydrophobicContact CG2-CE3 4.45Å; T198-W234 PolarHBondContact OG1-O 3.05Å; V232-W234 PolarHBondContact O-N 3.2Å
235T89.1Confident88.4Confident6 Ų655.9 Ų55.94%0.03728%0.279CS..  trans-105.8172.1-173.9610000112.4F17 F19 N200 K237F17-T235 VanDerWaalsContact O-CB 3.31Å; F17-T235 WeakPolarHBondContact O-CB 3.33Å; F17-T235 PolarHBondContact O-OG1 3.37Å; F19-T235 HydrophobicContact CB-CG2 3.67Å; F19-T235 PolarHBondContact N-OG1 3.23Å; F19-T235 VanDerWaalsContact N-OG1 3.16Å; N200-T235 HydrophobicContact CB-CG2 4.01Å; T235-K237 VanDerWaalsContact C-N 3.34Å; T235-K237 PolarHBondContact O-N 2.9Å; T235-K237 PolarHBondContact OG1-O 3.18Å
236Y81.1Confident88.4Confident110 Ų11059.2 Ų59.243%0.43129%0.291SS..SBendtrans-53.5-48.3177.2168.6-108.9000112.7F17 M298 R301 P303F17-Y236 PolarHBondContact O-N 2.9Å; Y236-M298 HydrophobicContact CD2-CE 3.91Å; Y236-M298 HydrophobicContact CE2-CE 4.45Å; Y236-M298 HydrophobicContact CG-CE 4.23Å; Y236-R301 WeakPolarHBondContact CE2-O 3.34Å; Y236-R301 PolarHBondContact OH-O 2.75Å; Y236-P303 HydrophobicContact CD1-CG 4.13Å; Y236-P303 HydrophobicContact CE1-CG 4.09Å
237K80.3Confident88.4Confident97 Ų9757.6 Ų57.642%0.42228%0.276SS..EExtended strand (participates in β ladder)trans-122.1101.2177.6-172.7173.1-175.2176.80108.4F17 V18 F19 T235 E315F17-K237 PolarHBondContact O-N 3Å; F17-K237 VanDerWaalsContact O-N 3.1Å; V18-K237 VanDerWaalsContact CA-O 3.3Å; V18-K237 WeakPolarHBondContact CA-O 3.35Å; V18-K237 HydrophobicContact CG2-CB 3.89Å; V18-K237 HydrophobicContact CG2-CD 4.15Å; V18-K237 HydrophobicContact CG2-CG 4.36Å; F19-K237 PolarHBondContact N-O 3.34Å; T235-K237 VanDerWaalsContact C-N 3.34Å; T235-K237 PolarHBondContact O-N 2.9Å; T235-K237 PolarHBondContact OG1-O 3.18Å; K237-E315 WeakPolarHBondContact CD-OE2 3.31Å; K237-E315 IonicContact NZ-OE1 2.63Å; K237-E315 PolarHBondContact NZ-OE1 2.99Å; K237-E315 IonicContact NZ-OE2 3.86Å; K237-E315 PolarHBondContact NZ-OE2 3.24Å
238G83.4Confident88.6Confident41 Ų4156.5 Ų56.542%0.42327%0.271SS..EExtended strand (participates in β ladder)trans175.7-159-171.600000112.4F19F19-G238 WeakPolarHBondContact O-CA 3.32Å
239A82.9Confident89.1Confident16 Ų1646.3 Ų46.313%0.13223%0.227CC..SBendtrans-57139.7176.100000111.2V21 D243V21-A239 HydrophobicContact CG2-CB 4.21Å; A239-D243 HydrophobicContact CB-CB 3.87Å
240S87.6Confident89.4Confident42 Ų4245.3 Ų45.329%0.29422%0.221SC..  trans-63.3165.7170.369.20000110.4T242 D243 S244S240-T242 PolarHBondContact O-N 2.99Å; S240-T242 PolarHBondContact OG-OG1 2.83Å; S240-D243 VanDerWaalsContact CB-OD2 3.32Å; S240-D243 WeakPolarHBondContact CB-OD2 3.29Å; S240-D243 PolarHBondContact N-OD2 2.79Å; S240-D243 PolarHBondContact O-N 2.63Å; S240-D243 PolarHBondContact OG-N 3.09Å; S240-D243 VanDerWaalsContact OG-N 3.07Å; S240-D243 PolarHBondContact OG-OD1 2.86Å; S240-D243 PolarHBondContact OG-OD2 2.94Å; S240-S244 PolarHBondContact O-N 3.13Å; S240-S244 PolarHBondContact O-OG 3.2Å
241W86.8Confident89.6Confident150 Ų15045.2 Ų45.257%0.56822%0.219SC*.Hα-helixtrans-61.6-35.6175.774.1-91.6000111.1F124 S244 V245F124-W241 HydrophobicContact CE1-CB 4.21Å; W241-S244 WeakPolarHBondContact O-CB 3.45Å; W241-S244 PolarHBondContact O-N 2.69Å; W241-V245 HydrophobicContact CE3-CG2 4.16Å; W241-V245 HydrophobicContact CZ3-CG2 4.33Å; W241-V245 WeakPolarHBondContact O-CG2 3.44Å; W241-V245 PolarHBondContact O-N 3.16Å
242T90.5Very high89.7Confident69 Ų6950 Ų5042%0.42324%0.24SC..Hα-helixtrans-66.3-41174.738.30000112.2S240 S244 V245 W246S240-T242 PolarHBondContact O-N 2.99Å; S240-T242 PolarHBondContact OG-OG1 2.83Å; T242-S244 VanDerWaalsContact C-N 3.29Å; T242-S244 PolarHBondContact O-N 3.06Å; T242-V245 PolarHBondContact O-N 2.98Å; T242-W246 WeakPolarHBondContact O-CB 3.39Å; T242-W246 PolarHBondContact O-N 3.33Å
243D90.5Very high89.9Confident72 Ų7255.6 Ų55.639%0.38526%0.262SS..Hα-helixtrans-63.8-39.4174.8-61.2-34.2000110.7A239 S240 V245 W246 H247A239-D243 HydrophobicContact CB-CB 3.87Å; S240-D243 VanDerWaalsContact CB-OD2 3.32Å; S240-D243 WeakPolarHBondContact CB-OD2 3.29Å; S240-D243 PolarHBondContact N-OD2 2.79Å; S240-D243 PolarHBondContact O-N 2.63Å; S240-D243 PolarHBondContact OG-N 3.09Å; S240-D243 VanDerWaalsContact OG-N 3.07Å; S240-D243 PolarHBondContact OG-OD1 2.86Å; S240-D243 PolarHBondContact OG-OD2 2.94Å; D243-V245 PolarHBondContact O-N 3.18Å; D243-W246 PolarHBondContact O-N 3.48Å; D243-H247 VanDerWaalsContact O-CB 3.29Å; D243-H247 WeakPolarHBondContact O-CB 3.44Å; D243-H247 PolarHBondContact O-CD2 2.78Å; D243-H247 VanDerWaalsContact O-CG 3.26Å; D243-H247 PolarHBondContact O-N 2.89Å
244S91.2Very high90Very high0 Ų053.8 Ų53.80%026%0.255CS..Hα-helixtrans-62.4-42.8176.8-54.60000111.4S240 W241 T242 T248S240-S244 PolarHBondContact O-N 3.13Å; S240-S244 PolarHBondContact O-OG 3.2Å; W241-S244 WeakPolarHBondContact O-CB 3.45Å; W241-S244 PolarHBondContact O-N 2.69Å; T242-S244 VanDerWaalsContact C-N 3.29Å; T242-S244 PolarHBondContact O-N 3.06Å; S244-T248 WeakPolarHBondContact O-CB 3.29Å; S244-T248 PolarHBondContact O-N 3.27Å; S244-T248 PolarHBondContact O-OG1 3.1Å
245V92.9Very high90.3Very high29 Ų2950.8 Ų50.818%0.17625%0.246CC..Hα-helixtrans-62.9-51.1172.7174.50000110.5V43 F124 W241 T242 D243 H247 T248 A249V43-V245 HydrophobicContact CG2-CG1 4.06Å; F124-V245 HydrophobicContact CE2-CG2 4.1Å; F124-V245 HydrophobicContact CZ-CG2 3.56Å; W241-V245 HydrophobicContact CE3-CG2 4.16Å; W241-V245 HydrophobicContact CZ3-CG2 4.33Å; W241-V245 WeakPolarHBondContact O-CG2 3.44Å; W241-V245 PolarHBondContact O-N 3.16Å; T242-V245 PolarHBondContact O-N 2.98Å; D243-V245 PolarHBondContact O-N 3.18Å; V245-H247 PolarHBondContact O-N 2.9Å; V245-T248 PolarHBondContact O-N 3.27Å; V245-A249 WeakPolarHBondContact O-CB 3.42Å; V245-A249 PolarHBondContact O-N 3.41Å
246W94Very high90.6Very high87 Ų8750.6 Ų50.633%0.3325%0.245SC..Hα-helixtrans-56-54.4-179.2173.2-95.6000111.1L32 V39 T242 D243 T248 S250L32-W246 HydrophobicContact CD2-CZ2 4.32Å; V39-W246 HydrophobicContact CB-CE3 4.02Å; V39-W246 HydrophobicContact CB-CZ3 3.99Å; V39-W246 HydrophobicContact CG1-CE3 3.88Å; V39-W246 HydrophobicContact CG1-CZ3 4.18Å; V39-W246 HydrophobicContact CG2-CD2 4.18Å; V39-W246 HydrophobicContact CG2-CE3 3.77Å; V39-W246 HydrophobicContact CG2-CZ3 4.01Å; T242-W246 WeakPolarHBondContact O-CB 3.39Å; T242-W246 PolarHBondContact O-N 3.33Å; D243-W246 PolarHBondContact O-N 3.48Å; W246-T248 PolarHBondContact O-N 2.85Å; W246-S250 WeakPolarHBondContact O-CB 3.32Å; W246-S250 PolarHBondContact O-N 2.96Å; W246-S250 PolarHBondContact O-OG 3.04Å
247H92.9Very high91.4Very high47 Ų4746 Ų4622%0.21823%0.228CC..Hα-helixtrans-63.6-41.7-177.8-70-48000112.2T231 D243 V245 Q251T231-H247 HydrophobicContact CG2-CB 3.58Å; D243-H247 VanDerWaalsContact O-CB 3.29Å; D243-H247 WeakPolarHBondContact O-CB 3.44Å; D243-H247 PolarHBondContact O-CD2 2.78Å; D243-H247 VanDerWaalsContact O-CG 3.26Å; D243-H247 PolarHBondContact O-N 2.89Å; V245-H247 PolarHBondContact O-N 2.9Å; H247-Q251 VanDerWaalsContact O-CG 3.25Å; H247-Q251 WeakPolarHBondContact O-CG 3.39Å
248T94.3Very high92.3Very high2 Ų241.3 Ų41.31%0.01221%0.208CC..Hα-helixtrans-69.1-47.7179.1-58.60000111.9F98 L125 T231 V232 S244 V245 W246 S250 Q251 T254F98-T248 HydrophobicContact CE2-CG2 3.95Å; F98-T248 HydrophobicContact CZ-CG2 4.09Å; L125-T248 HydrophobicContact CD1-CG2 3.98Å; T231-T248 WeakPolarHBondContact CB-OG1 3.4Å; T231-T248 PolarHBondContact O-OG1 3.25Å; T231-T248 VanDerWaalsContact OG1-CA 3.25Å; T231-T248 WeakPolarHBondContact OG1-CA 3.47Å; T231-T248 PolarHBondContact OG1-N 3.36Å; T231-T248 PolarHBondContact OG1-OG1 3.26Å; V232-T248 HydrophobicContact CG2-CG2 4.48Å; S244-T248 WeakPolarHBondContact O-CB 3.29Å; S244-T248 PolarHBondContact O-N 3.27Å; S244-T248 PolarHBondContact O-OG1 3.1Å; V245-T248 PolarHBondContact O-N 3.27Å; W246-T248 PolarHBondContact O-N 2.85Å; T248-S250 VanDerWaalsContact C-N 3.26Å; T248-S250 PolarHBondContact O-N 3.43Å; T248-Q251 WeakPolarHBondContact O-CB 3.38Å; T248-Q251 PolarHBondContact O-N 3.02Å; T248-Q251 VanDerWaalsContact O-N 3.13Å; T248-T254 HydrophobicContact CG2-CG2 4.34Å; T248-T254 WeakPolarHBondContact CG2-OG1 3.42Å
249A95.3Very high93Very high1 Ų141.1 Ų41.11%0.00820%0.196CC..Hα-helixtrans-71.5-21.5-179.100000112.8V39 R42 V245 Q251V39-A249 HydrophobicContact CG2-CB 3.96Å; R42-A249 WeakPolarHBondContact CD-O 3.32Å; R42-A249 PolarHBondContact NH1-O 3.25Å; V245-A249 WeakPolarHBondContact O-CB 3.42Å; V245-A249 PolarHBondContact O-N 3.41Å; A249-Q251 VanDerWaalsContact C-N 3.3Å
250S94.9Very high93.8Very high6 Ų641 Ų414%0.04219%0.192CC..THydrogen-bonded Turntrans-74.1-16.7171.5-60.60000113.6G35 V39 W246 T248G35-S250 WeakPolarHBondContact CA-OG 3.29Å; V39-S250 WeakPolarHBondContact CG2-OG 3.48Å; W246-S250 WeakPolarHBondContact O-CB 3.32Å; W246-S250 PolarHBondContact O-N 2.96Å; W246-S250 PolarHBondContact O-OG 3.04Å; T248-S250 VanDerWaalsContact C-N 3.26Å; T248-S250 PolarHBondContact O-N 3.43Å
251Q92.8Very high94.3Very high34 Ų3440.1 Ų40.116%0.15918%0.184CC..SBendtrans-74.3148.6175.7-54.1-151.841.200110.8R42 V229 T231 H247 T248 A249 Y253R42-Q251 PolarHBondContact NH1-O 2.96Å; R42-Q251 PolarHBondContact NH2-O 3.33Å; V229-Q251 PolarHBondContact O-NE2 3.21Å; T231-Q251 PolarHBondContact OG1-NE2 2.93Å; H247-Q251 VanDerWaalsContact O-CG 3.25Å; H247-Q251 WeakPolarHBondContact O-CG 3.39Å; T248-Q251 WeakPolarHBondContact O-CB 3.38Å; T248-Q251 PolarHBondContact O-N 3.02Å; T248-Q251 VanDerWaalsContact O-N 3.13Å; A249-Q251 VanDerWaalsContact C-N 3.3Å; Q251-Y253 VanDerWaalsContact C-N 3.27Å; Q251-Y253 PolarHBondContact O-N 3Å
252F91.8Very high94.9Very high104 Ų10438.4 Ų38.446%0.45619%0.192SC..SBendtrans-58.4-42.3173.4-80.1-76.7000112.1L34 R42L34-F252 HydrophobicContact CD1-CD2 3.82Å; L34-F252 HydrophobicContact CD1-CE2 3.24Å; L34-F252 HydrophobicContact CD1-CZ 3.67Å; L34-F252 HydrophobicContact CD2-CE1 4.18Å; L34-F252 HydrophobicContact CD2-CE2 4.1Å; L34-F252 HydrophobicContact CD2-CZ 3.6Å; L34-F252 HydrophobicContact CG-CE2 4.32Å; L34-F252 HydrophobicContact CG-CZ 4.31Å; R42-F252 PolarHBondContact NH2-O 2.78Å
253Y93Very high95.2Very high117 Ų11736.9 Ų36.946%0.45918%0.183SC..  trans-153.2158174.861.2-91.7000109.3G97 Q251 N255G97-Y253 CarbonylContact O-C 3.57Å; G97-Y253 VanDerWaalsContact O-CA 3.32Å; G97-Y253 WeakPolarHBondContact O-CA 3.39Å; Q251-Y253 VanDerWaalsContact C-N 3.27Å; Q251-Y253 PolarHBondContact O-N 3Å; Y253-N255 WeakPolarHBondContact CD2-OD1 3.46Å; Y253-N255 WeakPolarHBondContact CE2-ND2 3.4Å
254T95Very high95.6Very high0 Ų035.8 Ų35.80%017%0.173CC..  trans-126.3128.2170.9-58.60000107.7G97 F98 V232 T248G97-T254 PolarHBondContact O-N 2.79Å; F98-T254 WeakPolarHBondContact CA-O 3.35Å; F98-T254 HydrophobicContact CD1-CG2 3.89Å; F98-T254 HydrophobicContact CE1-CG2 3.37Å; F98-T254 HydrophobicContact CZ-CG2 3.75Å; V232-T254 HydrophobicContact CG2-CG2 3.81Å; T248-T254 HydrophobicContact CG2-CG2 4.34Å; T248-T254 WeakPolarHBondContact CG2-OG1 3.42Å
255N95.1Very high96Very high37 Ų3741 Ų4120%0.19820%0.201CC..EExtended strand (participates in β ladder)trans-98.4142.7177.8-67.2-23.8000110.2P226 N227 Y253P226-N255 HydrophobicContact CG-CB 4.18Å; N227-N255 PolarHBondContact ND2-O 2.7Å; N227-N255 PolarHBondContact OD1-N 2.77Å; Y253-N255 WeakPolarHBondContact CD2-OD1 3.46Å; Y253-N255 WeakPolarHBondContact CE2-ND2 3.4Å
256M96.4Very high96.2Very high1 Ų140.1 Ų40.11%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-124.8136.1170.3-177-176.9-171.700108.7F98 W100 V101 K102 L128 V129 L223 R224 Y225 V258F98-M256 HydrophobicContact CD1-CB 4.41Å; W100-M256 PolarHBondContact O-N 3.45Å; W100-M256 VanDerWaalsContact O-N 3.16Å; V101-M256 CarbonylContact C-O 3.51Å; V101-M256 WeakPolarHBondContact CA-O 3.29Å; K102-M256 PolarHBondContact N-O 2.89Å; L128-M256 HydrophobicContact CB-CE 4.49Å; L128-M256 HydrophobicContact CB-SD 3.79Å; L128-M256 HydrophobicContact CD2-CB 4.39Å; L128-M256 HydrophobicContact CD2-SD 3.64Å; L128-M256 HydrophobicContact CG-SD 3.64Å; V129-M256 HydrophobicContact CB-CE 3.94Å; L223-M256 HydrophobicContact CD1-CE 3.75Å; L223-M256 HydrophobicContact CD2-CE 3.4Å; L223-M256 VanDerWaalsContact CD2-CE 3.4Å; L223-M256 HydrophobicContact CG-CE 4.08Å; R224-M256 CarbonylContact O-C 3.56Å; Y225-M256 HydrophobicContact CD1-CB 4.36Å; Y225-M256 HydrophobicContact CD1-CG 4.48Å; Y225-M256 HydrophobicContact CE1-CB 4.06Å; Y225-M256 HydrophobicContact CE1-CG 3.89Å; Y225-M256 HydrophobicContact CE1-SD 4.44Å; M256-V258 HydrophobicContact CE-CG2 3.87Å; M256-V258 HydrophobicContact CG-CG2 4.29Å; M256-V258 HydrophobicContact SD-CG2 4.22Å
257T98Very high96.4Very high13 Ų1338.5 Ų38.58%0.0820%0.198CC..EExtended strand (participates in β ladder)trans-111.1128.2166.6-57.40000108.8K102 K104 R224K102-T257 HydrophobicContact CB-CG2 4.33Å; K102-T257 HydrophobicContact CG-CG2 4.45Å; K102-T257 CarbonylContact O-C 3.6Å; K102-T257 VanDerWaalsContact O-CA 3.27Å; K102-T257 WeakPolarHBondContact O-CA 3.1Å; K104-T257 HydrophobicContact CD-CG2 4.08Å; K104-T257 HydrophobicContact CG-CG2 4.18Å; R224-T257 PolarHBondContact N-O 3.11Å; R224-T257 PolarHBondContact O-N 3.42Å
258V98.6Very high96.7Very high0 Ų041.8 Ų41.80%021%0.214CC..EExtended strand (participates in β ladder)trans-109.1117.5172.1-1790000107.3V101 K102 V103 K104 V129 P132 V221 L223 M256 Y260V101-V258 HydrophobicContact CG1-CG2 4.14Å; K102-V258 PolarHBondContact O-N 3Å; V103-V258 CarbonylContact C-O 3.59Å; V103-V258 WeakPolarHBondContact CA-O 3.29Å; K104-V258 PolarHBondContact N-O 3.03Å; V129-V258 HydrophobicContact CG2-CG1 4.13Å; V129-V258 HydrophobicContact CG2-CG2 4.31Å; P132-V258 HydrophobicContact CG-CB 4.49Å; P132-V258 HydrophobicContact CG-CG1 4.39Å; P132-V258 HydrophobicContact CG-CG2 4.04Å; V221-V258 HydrophobicContact CG1-CG1 3.56Å; L223-V258 HydrophobicContact CD2-CG1 4.45Å; L223-V258 HydrophobicContact CD2-CG2 3.98Å; M256-V258 HydrophobicContact CE-CG2 3.87Å; M256-V258 HydrophobicContact CG-CG2 4.29Å; M256-V258 HydrophobicContact SD-CG2 4.22Å; V258-Y260 HydrophobicContact CG1-CE2 4.02Å
259E98.7Very high96.8Very high37 Ų3748.4 Ų48.417%0.17324%0.244CC..EExtended strand (participates in β ladder)trans-119109.8-175.5168.4167.5-123.300110K104 V221 L222 R224 L261K104-E259 HydrophobicContact CB-CB 4.08Å; K104-E259 HydrophobicContact CB-CG 4.21Å; K104-E259 HydrophobicContact CD-CB 4.39Å; K104-E259 HydrophobicContact CD-CG 4.42Å; K104-E259 IonicContact NZ-OE1 3.55Å; K104-E259 WeakPolarHBondContact O-CA 3.25Å; V221-E259 CarbonylContact C-O 3.17Å; V221-E259 WeakPolarHBondContact CA-O 3.37Å; L222-E259 HydrophobicContact CB-CB 4.13Å; L222-E259 HydrophobicContact CB-CG 4.46Å; L222-E259 HydrophobicContact CD1-CG 4.46Å; L222-E259 PolarHBondContact N-O 3.23Å; L222-E259 PolarHBondContact O-N 3.4Å; R224-E259 IonicContact CZ-OE2 3.31Å; R224-E259 IonicContact NE-OE2 2.93Å; R224-E259 PolarHBondContact NE-OE2 3.25Å; R224-E259 IonicContact NH2-OE2 2.69Å; R224-E259 PolarHBondContact NH2-OE2 3.36Å; R224-E259 VanDerWaalsContact NH2-OE2 3.1Å; E259-L261 HydrophobicContact CG-CD2 4.22Å
260Y98.8Very high96.9Very high14 Ų1448.6 Ų48.66%0.05525%0.245CC..EExtended strand (participates in β ladder)trans-80.7118.5175.7-64.4-78.7000109.6V103 K104 R106 R107 P132 T133 V221 V258V103-Y260 HydrophobicContact CG1-CD2 3.9Å; V103-Y260 HydrophobicContact CG1-CE2 3.62Å; K104-Y260 WeakPolarHBondContact O-CD2 3.35Å; K104-Y260 PolarHBondContact O-N 3.08Å; R106-Y260 WeakPolarHBondContact O-CB 3.26Å; R107-Y260 HydrophobicContact CB-CD1 4.12Å; R107-Y260 HydrophobicContact CB-CD2 4.32Å; R107-Y260 HydrophobicContact CB-CE1 3.87Å; R107-Y260 HydrophobicContact CB-CE2 4.05Å; R107-Y260 HydrophobicContact CB-CG 4.36Å; R107-Y260 HydrophobicContact CG-CD1 4.16Å; R107-Y260 HydrophobicContact CG-CE1 3.66Å; P132-Y260 PolarHBondContact O-OH 2.88Å; T133-Y260 HydrophobicContact CG2-CE1 4.28Å; T133-Y260 WeakPolarHBondContact CG2-OH 3.45Å; V221-Y260 HydrophobicContact CG1-CD1 4.21Å; V221-Y260 HydrophobicContact CG1-CE1 4.1Å; V221-Y260 HydrophobicContact CG2-CD1 3.68Å; V221-Y260 HydrophobicContact CG2-CE1 3.81Å; V258-Y260 HydrophobicContact CG1-CE2 4.02Å
261L98.8Very high97Very high23 Ų2352.5 Ų52.512%0.1226%0.262CS..PPolyproline II helixtrans-80.7165.2169.7-58-169.7000110.2Q219 P220 L222 E259 L284 A288Q219-L261 WeakPolarHBondContact CG-O 3.44Å; Q219-L261 PolarHBondContact NE2-O 3.22Å; P220-L261 HydrophobicContact CB-CB 4.09Å; P220-L261 HydrophobicContact CB-CD1 4.04Å; P220-L261 HydrophobicContact CB-CG 4.32Å; P220-L261 HydrophobicContact CG-CB 4.44Å; P220-L261 PolarHBondContact O-N 3.42Å; L222-L261 HydrophobicContact CD1-CD1 4.07Å; L222-L261 HydrophobicContact CD1-CD2 3.96Å; L222-L261 HydrophobicContact CD1-CG 4.22Å; L222-L261 HydrophobicContact CD2-CD1 4.2Å; L222-L261 HydrophobicContact CG-CD1 4.08Å; L222-L261 HydrophobicContact CG-CD2 4.28Å; L222-L261 HydrophobicContact CG-CG 4.08Å; E259-L261 HydrophobicContact CG-CD2 4.22Å; L261-L284 HydrophobicContact CD1-CD2 3.56Å; L261-A288 HydrophobicContact CD1-CB 3.82Å; L261-A288 HydrophobicContact CD2-CB 4.3Å
262P98.6Very high97.2Very high113 Ų11359.1 Ų59.173%0.73429%0.29SS*.PPolyproline II helixtrans-54.1150.8170.5-2636.1000112P220 Y264P220-P262 WeakPolarHBondContact CD-O 3.25Å; P262-Y264 PolarHBondContact O-N 3.41Å
263V98.8Very high97.5Very high38 Ų3857.6 Ų57.623%0.2329%0.286CS..PPolyproline II helixtrans-59.7130.6174.6175.80000109.4A108 E112 A113 P217 Q219A108-V263 HydrophobicContact CB-CG2 3.48Å; A108-V263 VanDerWaalsContact CB-CG2 3.48Å; E112-V263 HydrophobicContact CB-CG2 4.35Å; A113-V263 HydrophobicContact CB-CG1 4.11Å; A113-V263 HydrophobicContact CB-CG2 4.14Å; P217-V263 HydrophobicContact CB-CG1 3.86Å; Q219-V263 HydrophobicContact CB-CG2 4.49Å
264Y98.6Very high97.7Very high48 Ų4853.6 Ų53.619%0.18828%0.275CS..BIsolated β-bridgetrans-94.6119.6174.3-168.2-77.8000109.2P217 V218 P262 E270 Y277 N280 V281 L284P217-Y264 WeakPolarHBondContact CA-O 3.25Å; V218-Y264 PolarHBondContact N-O 3.37Å; V218-Y264 PolarHBondContact O-N 2.98Å; P262-Y264 PolarHBondContact O-N 3.41Å; Y264-E270 WeakPolarHBondContact CE1-OE2 3.29Å; Y264-E270 PolarHBondContact OH-OE1 2.9Å; Y264-E270 PolarHBondContact OH-OE2 3.4Å; Y264-Y277 HydrophobicContact CD1-CD2 4.21Å; Y264-Y277 AromaticContact CD1-CE2 3.34Å; Y264-Y277 HydrophobicContact CD1-CE2 3.34Å; Y264-Y277 AromaticContact CE1-CD2 3.81Å; Y264-Y277 HydrophobicContact CE1-CD2 3.81Å; Y264-Y277 AromaticContact CE1-CE2 3.41Å; Y264-Y277 HydrophobicContact CE1-CE2 3.41Å; Y264-Y277 VanDerWaalsContact CE1-CE2 3.41Å; Y264-Y277 HydrophobicContact CG-CE2 4.42Å; Y264-N280 WeakPolarHBondContact OH-CB 3.47Å; Y264-V281 HydrophobicContact CD1-CG2 3.99Å; Y264-V281 HydrophobicContact CD2-CG2 4.35Å; Y264-V281 HydrophobicContact CE1-CG2 4.08Å; Y264-V281 HydrophobicContact CE2-CG2 4.45Å; Y264-V281 HydrophobicContact CG-CG2 4.08Å; Y264-L284 HydrophobicContact CD2-CD1 3.73Å; Y264-L284 HydrophobicContact CE2-CD1 3.92Å
265N98.3Very high97.8Very high109 Ų10956.6 Ų56.658%0.58330%0.295SS*.PPolyproline II helixtrans-99.9121.2176.3-67.1-71.2000108.8P217P217-N265 WeakPolarHBondContact CG-OD1 3.48Å
266P98.1Very high97.9Very high12 Ų1257.4 Ų57.48%0.07830%0.3CS..PPolyproline II helixtrans-70.5142.9-177.726.2-30.8000111.6G215 E270 K271 Y277G215-P266 WeakPolarHBondContact O-CG 3.27Å; P266-E270 VanDerWaalsContact CA-OE2 3.26Å; P266-E270 WeakPolarHBondContact CA-OE2 3.32Å; P266-E270 HydrophobicContact CB-CB 3.87Å; P266-K271 HydrophobicContact CB-CG 4.08Å; P266-K271 HydrophobicContact CG-CG 3.96Å; P266-K271 WeakPolarHBondContact O-CE 3.35Å; P266-Y277 HydrophobicContact CB-CD1 3.92Å; P266-Y277 HydrophobicContact CB-CD2 4.26Å; P266-Y277 HydrophobicContact CB-CE1 3.56Å; P266-Y277 HydrophobicContact CB-CE2 3.98Å; P266-Y277 HydrophobicContact CB-CG 4.28Å; P266-Y277 WeakPolarHBondContact CD-OH 3.37Å; P266-Y277 HydrophobicContact CG-CE1 3.75Å
267S98.3Very high98Very high52 Ų5257.4 Ų57.436%0.36430%0.3SS..PPolyproline II helixtrans-67.1166.2167.379.40000111.5E269 E270 K271S267-E269 PolarHBondContact O-N 3.44Å; S267-E269 PolarHBondContact OG-N 2.94Å; S267-E270 PolarHBondContact N-OE2 3.16Å; S267-E270 PolarHBondContact O-N 2.96Å; S267-E270 WeakPolarHBondContact OG-CG 3.25Å; S267-E270 PolarHBondContact OG-N 3.16Å; S267-E270 VanDerWaalsContact OG-N 3.15Å; S267-K271 WeakPolarHBondContact O-CG 3.44Å; S267-K271 PolarHBondContact O-N 2.89Å
268E97.8Very high98Very high116 Ų11656.8 Ų56.854%0.54230%0.296SS..Hα-helixtrans-62.1-28.4174.9-67.4-55.6123.900113K271 K272E268-K271 IonicContact OE1-NZ 2.73Å; E268-K271 PolarHBondContact OE1-NZ 3.48Å; E268-K272 WeakPolarHBondContact O-CG 3.36Å; E268-K272 PolarHBondContact O-N 2.78Å
269E97.6Very high98Very high141 Ų14158.1 Ų58.166%0.65930%0.303SS*.Hα-helixtrans-71.2-44.9174.2-65.2175.8-178.300111.1S267 K271 K272 N273 L276S267-E269 PolarHBondContact O-N 3.44Å; S267-E269 PolarHBondContact OG-N 2.94Å; E269-K271 VanDerWaalsContact C-N 3.33Å; E269-K271 PolarHBondContact O-N 3.16Å; E269-K272 CarbonylContact O-C 3.57Å; E269-K272 PolarHBondContact O-N 3.27Å; E269-K272 VanDerWaalsContact O-N 3.11Å; E269-N273 WeakPolarHBondContact O-CB 3.34Å; E269-N273 PolarHBondContact O-N 3.36Å; E269-L276 HydrophobicContact CB-CD2 4.35Å
270E98Very high98Very high6 Ų658.7 Ų58.73%0.02831%0.307CS..Hα-helixtrans-64.6-36.1177.6-74.2177.2139.100112.3Y264 P266 S267 K272 N273 L276 Y277 N280Y264-E270 WeakPolarHBondContact CE1-OE2 3.29Å; Y264-E270 PolarHBondContact OH-OE1 2.9Å; Y264-E270 PolarHBondContact OH-OE2 3.4Å; P266-E270 VanDerWaalsContact CA-OE2 3.26Å; P266-E270 WeakPolarHBondContact CA-OE2 3.32Å; P266-E270 HydrophobicContact CB-CB 3.87Å; S267-E270 PolarHBondContact N-OE2 3.16Å; S267-E270 PolarHBondContact O-N 2.96Å; S267-E270 WeakPolarHBondContact OG-CG 3.25Å; S267-E270 PolarHBondContact OG-N 3.16Å; S267-E270 VanDerWaalsContact OG-N 3.15Å; E270-K272 PolarHBondContact O-N 3.11Å; E270-N273 CarbonylContact O-C 3.52Å; E270-N273 PolarHBondContact O-N 2.97Å; E270-N273 VanDerWaalsContact O-O 3.1Å; E270-L276 HydrophobicContact CG-CD2 4.41Å; E270-L276 HydrophobicContact CG-CG 4.28Å; E270-Y277 HydrophobicContact CB-CD2 4.32Å; E270-Y277 HydrophobicContact CB-CG 3.96Å; E270-Y277 HydrophobicContact CG-CG 4.48Å; E270-N280 VanDerWaalsContact OE1-CB 3.27Å; E270-N280 WeakPolarHBondContact OE1-CB 3.44Å; E270-N280 PolarHBondContact OE1-ND2 3.05Å
271K97.1Very high98Very high88 Ų8858 Ų5838%0.38331%0.305SS..Hα-helixtrans-61.3-33.4172.9-71.9176.4-171.2170.60112.6P266 S267 E268 E269P266-K271 HydrophobicContact CB-CG 4.08Å; P266-K271 HydrophobicContact CG-CG 3.96Å; P266-K271 WeakPolarHBondContact O-CE 3.35Å; S267-K271 WeakPolarHBondContact O-CG 3.44Å; S267-K271 PolarHBondContact O-N 2.89Å; E268-K271 IonicContact OE1-NZ 2.73Å; E268-K271 PolarHBondContact OE1-NZ 3.48Å; E269-K271 VanDerWaalsContact C-N 3.33Å; E269-K271 PolarHBondContact O-N 3.16Å
272K97Very high98Very high172 Ų17257.1 Ų57.175%0.74830%0.3SS*.Hα-helixtrans-87.2-20.9177.7-65.8173.1-172.51760112.6E268 E269 E270E268-K272 WeakPolarHBondContact O-CG 3.36Å; E268-K272 PolarHBondContact O-N 2.78Å; E269-K272 CarbonylContact O-C 3.57Å; E269-K272 PolarHBondContact O-N 3.27Å; E269-K272 VanDerWaalsContact O-N 3.11Å; E270-K272 PolarHBondContact O-N 3.11Å
273N97.6Very high98Very high73 Ų7357.6 Ų57.639%0.3929%0.29SS..  trans-128.388.5-178.7-172-17.1000111.4E269 E270 S275 L276 Y277E269-N273 WeakPolarHBondContact O-CB 3.34Å; E269-N273 PolarHBondContact O-N 3.36Å; E270-N273 CarbonylContact O-C 3.52Å; E270-N273 PolarHBondContact O-N 2.97Å; E270-N273 VanDerWaalsContact O-O 3.1Å; N273-S275 PolarHBondContact O-N 2.89Å; N273-S275 PolarHBondContact OD1-N 2.91Å; N273-L276 HydrophobicContact CB-CB 3.9Å; N273-L276 WeakPolarHBondContact O-CB 3.33Å; N273-L276 PolarHBondContact O-N 2.93Å; N273-L276 VanDerWaalsContact O-N 3.14Å; N273-L276 PolarHBondContact OD1-N 3.14Å; N273-L276 VanDerWaalsContact OD1-N 3.07Å; N273-Y277 PolarHBondContact O-N 3.03Å
274P97.1Very high98Very high33 Ų3358.9 Ų58.921%0.21430%0.296CS..Hα-helixtrans-59.6-27.1179.9-27.736.9000114.6P209 F212 V213 A278P209-P274 HydrophobicContact CB-CB 3.84Å; F212-P274 HydrophobicContact CB-CB 4.35Å; V213-P274 HydrophobicContact CB-CG 4.5Å; V213-P274 HydrophobicContact CG1-CB 4.22Å; V213-P274 HydrophobicContact CG1-CG 4.38Å; P274-A278 WeakPolarHBondContact O-CB 3.26Å; P274-A278 PolarHBondContact O-N 3.08Å
275S96.3Very high98Very high62 Ų6256.6 Ų56.643%0.43429%0.287SS..Hα-helixtrans-71.3-44.5176.6-60.60000111N273 Y277 A278 D279N273-S275 PolarHBondContact O-N 2.89Å; N273-S275 PolarHBondContact OD1-N 2.91Å; S275-Y277 VanDerWaalsContact C-N 3.3Å; S275-Y277 PolarHBondContact O-N 2.81Å; S275-A278 PolarHBondContact O-N 2.88Å; S275-D279 WeakPolarHBondContact O-CB 3.31Å; S275-D279 PolarHBondContact O-N 3.44Å
276L97.9Very high98Very high55 Ų5551.6 Ų51.629%0.28826%0.26SS..Hα-helixtrans-59.7-43.4173.117763.5000111.2E269 E270 N273 D279 N280E269-L276 HydrophobicContact CB-CD2 4.35Å; E270-L276 HydrophobicContact CG-CD2 4.41Å; E270-L276 HydrophobicContact CG-CG 4.28Å; N273-L276 HydrophobicContact CB-CB 3.9Å; N273-L276 WeakPolarHBondContact O-CB 3.33Å; N273-L276 PolarHBondContact O-N 2.93Å; N273-L276 VanDerWaalsContact O-N 3.14Å; N273-L276 PolarHBondContact OD1-N 3.14Å; N273-L276 VanDerWaalsContact OD1-N 3.07Å; L276-D279 PolarHBondContact O-N 2.82Å; L276-N280 PolarHBondContact O-N 3.08Å
277Y98.5Very high98Very high0 Ų059.8 Ų59.80%030%0.295CS..Hα-helixtrans-60.4-47.7176.7-170.6-173.2000111.5F212 V216 V218 Y264 P266 E270 N273 S275 D279 N280 V281F212-Y277 HydrophobicContact CB-CD1 3.63Å; F212-Y277 HydrophobicContact CB-CE1 4.25Å; F212-Y277 HydrophobicContact CB-CG 4.03Å; F212-Y277 AromaticContact CD1-CD1 3.75Å; F212-Y277 HydrophobicContact CD1-CD1 3.75Å; F212-Y277 AromaticContact CD1-CD2 3.88Å; F212-Y277 HydrophobicContact CD1-CD2 3.88Å; F212-Y277 AromaticContact CD1-CE1 3.86Å; F212-Y277 HydrophobicContact CD1-CE1 3.86Å; F212-Y277 AromaticContact CD1-CE2 3.94Å; F212-Y277 HydrophobicContact CD1-CE2 3.94Å; F212-Y277 AromaticContact CD1-CG 3.75Å; F212-Y277 HydrophobicContact CD1-CG 3.75Å; F212-Y277 AromaticContact CD1-CZ 3.96Å; F212-Y277 HydrophobicContact CE1-CD2 4.44Å; F212-Y277 HydrophobicContact CE1-CE2 4.34Å; F212-Y277 HydrophobicContact CG-CD1 4.15Å; F212-Y277 HydrophobicContact CG-CG 4.24Å; V216-Y277 PolarHBondContact O-OH 3.32Å; V218-Y277 HydrophobicContact CG1-CE1 4.37Å; V218-Y277 VanDerWaalsContact CG1-OH 3.32Å; V218-Y277 WeakPolarHBondContact CG1-OH 3.38Å; V218-Y277 HydrophobicContact CG2-CE2 4.27Å; V218-Y277 PolarHBondContact N-OH 3.27Å; Y264-Y277 HydrophobicContact CD1-CD2 4.21Å; Y264-Y277 AromaticContact CD1-CE2 3.34Å; Y264-Y277 HydrophobicContact CD1-CE2 3.34Å; Y264-Y277 AromaticContact CE1-CD2 3.81Å; Y264-Y277 HydrophobicContact CE1-CD2 3.81Å; Y264-Y277 AromaticContact CE1-CE2 3.41Å; Y264-Y277 HydrophobicContact CE1-CE2 3.41Å; Y264-Y277 VanDerWaalsContact CE1-CE2 3.41Å; Y264-Y277 HydrophobicContact CG-CE2 4.42Å; P266-Y277 HydrophobicContact CB-CD1 3.92Å; P266-Y277 HydrophobicContact CB-CD2 4.26Å; P266-Y277 HydrophobicContact CB-CE1 3.56Å; P266-Y277 HydrophobicContact CB-CE2 3.98Å; P266-Y277 HydrophobicContact CB-CG 4.28Å; P266-Y277 WeakPolarHBondContact CD-OH 3.37Å; P266-Y277 HydrophobicContact CG-CE1 3.75Å; E270-Y277 HydrophobicContact CB-CD2 4.32Å; E270-Y277 HydrophobicContact CB-CG 3.96Å; E270-Y277 HydrophobicContact CG-CG 4.48Å; N273-Y277 PolarHBondContact O-N 3.03Å; S275-Y277 VanDerWaalsContact C-N 3.3Å; S275-Y277 PolarHBondContact O-N 2.81Å; Y277-D279 VanDerWaalsContact C-N 3.29Å; Y277-D279 PolarHBondContact O-N 2.89Å; Y277-N280 PolarHBondContact O-N 3.1Å; Y277-V281 HydrophobicContact CD2-CG2 3.66Å; Y277-V281 HydrophobicContact CE2-CG2 3.44Å; Y277-V281 VanDerWaalsContact CE2-CG2 3.44Å; Y277-V281 VanDerWaalsContact O-CG2 3.31Å; Y277-V281 WeakPolarHBondContact O-CG2 3.16Å; Y277-V281 PolarHBondContact O-N 3.31Å; Y277-V281 VanDerWaalsContact O-N 3.09Å
278A98.4Very high98Very high0 Ų059.3 Ų59.30%029%0.294CS..Hα-helixtrans-58-42.6176.800000112F207 F212 P274 S275 V281 Q282F207-A278 HydrophobicContact CB-CB 3.93Å; F212-A278 HydrophobicContact CD2-CB 3.45Å; F212-A278 VanDerWaalsContact CD2-CB 3.45Å; F212-A278 HydrophobicContact CE2-CB 3.59Å; F212-A278 HydrophobicContact CG-CB 4.07Å; F212-A278 HydrophobicContact CZ-CB 4.32Å; P274-A278 WeakPolarHBondContact O-CB 3.26Å; P274-A278 PolarHBondContact O-N 3.08Å; S275-A278 PolarHBondContact O-N 2.88Å; A278-V281 PolarHBondContact O-N 2.83Å; A278-Q282 VanDerWaalsContact O-CB 3.3Å; A278-Q282 WeakPolarHBondContact O-CB 3.39Å; A278-Q282 PolarHBondContact O-N 2.73Å
279D97.9Very high98Very high29 Ų2954.8 Ų54.816%0.15527%0.273CS..Hα-helixtrans-65.6-43.3-179.5-72.7-11.3000112.7K206 S275 L276 Y277 Q282 K283K206-D279 WeakPolarHBondContact CD-OD1 3.14Å; K206-D279 WeakPolarHBondContact CE-OD1 3.31Å; K206-D279 IonicContact NZ-OD1 3.57Å; K206-D279 PolarHBondContact NZ-OD1 2.92Å; K206-D279 IonicContact NZ-OD2 3.9Å; K206-D279 PolarHBondContact NZ-OD2 3.13Å; S275-D279 WeakPolarHBondContact O-CB 3.31Å; S275-D279 PolarHBondContact O-N 3.44Å; L276-D279 PolarHBondContact O-N 2.82Å; Y277-D279 VanDerWaalsContact C-N 3.29Å; Y277-D279 PolarHBondContact O-N 2.89Å; D279-Q282 WeakPolarHBondContact O-CB 3.45Å; D279-Q282 PolarHBondContact O-N 3.49Å; D279-K283 VanDerWaalsContact O-CG 3.29Å; D279-K283 WeakPolarHBondContact O-CG 3.48Å; D279-K283 PolarHBondContact O-N 3.37Å
280N98.6Very high98Very high48 Ų4851.3 Ų51.326%0.25728%0.276SS..Hα-helixtrans-67.4-40.8179.2-71.1-20.5000111.4Y264 E270 L276 Y277 K283 L284Y264-N280 WeakPolarHBondContact OH-CB 3.47Å; E270-N280 VanDerWaalsContact OE1-CB 3.27Å; E270-N280 WeakPolarHBondContact OE1-CB 3.44Å; E270-N280 PolarHBondContact OE1-ND2 3.05Å; L276-N280 PolarHBondContact O-N 3.08Å; Y277-N280 PolarHBondContact O-N 3.1Å; N280-K283 PolarHBondContact O-N 3.37Å; N280-L284 WeakPolarHBondContact O-CB 3.45Å; N280-L284 PolarHBondContact O-N 2.96Å
281V98.8Very high97.9Very high0 Ų052.7 Ų52.70%028%0.284CS..Hα-helixtrans-66.5-40.6175.3175.50000111V117 F207 F212 V218 P220 Y264 Y277 A278 L284 M285V117-V281 HydrophobicContact CG2-CG1 3.92Å; F207-V281 HydrophobicContact CE2-CG1 4.33Å; F212-V281 HydrophobicContact CD1-CG2 4.4Å; F212-V281 HydrophobicContact CE1-CB 3.84Å; F212-V281 HydrophobicContact CE1-CG1 3.97Å; F212-V281 HydrophobicContact CE1-CG2 3.7Å; F212-V281 HydrophobicContact CZ-CB 4.11Å; F212-V281 HydrophobicContact CZ-CG1 4.08Å; F212-V281 HydrophobicContact CZ-CG2 4.47Å; V218-V281 HydrophobicContact CG2-CG1 4.39Å; V218-V281 HydrophobicContact CG2-CG2 4.1Å; P220-V281 HydrophobicContact CG-CG1 4.25Å; Y264-V281 HydrophobicContact CD1-CG2 3.99Å; Y264-V281 HydrophobicContact CD2-CG2 4.35Å; Y264-V281 HydrophobicContact CE1-CG2 4.08Å; Y264-V281 HydrophobicContact CE2-CG2 4.45Å; Y264-V281 HydrophobicContact CG-CG2 4.08Å; Y277-V281 HydrophobicContact CD2-CG2 3.66Å; Y277-V281 HydrophobicContact CE2-CG2 3.44Å; Y277-V281 VanDerWaalsContact CE2-CG2 3.44Å; Y277-V281 VanDerWaalsContact O-CG2 3.31Å; Y277-V281 WeakPolarHBondContact O-CG2 3.16Å; Y277-V281 PolarHBondContact O-N 3.31Å; Y277-V281 VanDerWaalsContact O-N 3.09Å; A278-V281 PolarHBondContact O-N 2.83Å; V281-L284 PolarHBondContact O-N 2.89Å; V281-M285 HydrophobicContact CG1-CG 4.37Å; V281-M285 HydrophobicContact CG1-SD 3.97Å; V281-M285 WeakPolarHBondContact O-CB 3.34Å; V281-M285 VanDerWaalsContact O-CG 3.29Å; V281-M285 WeakPolarHBondContact O-CG 3.34Å; V281-M285 PolarHBondContact O-N 2.81Å
282Q98.6Very high97.8Very high4 Ų450.4 Ų50.42%0.01928%0.278CS..Hα-helixtrans-57.6-50.9174-174.1-158.517.900110.9L204 I205 F207 A278 D279 L284 M285 A286 A293 T294L204-Q282 HydrophobicContact CB-CG 4.04Å; L204-Q282 HydrophobicContact CD1-CG 4.4Å; L204-Q282 PolarHBondContact O-NE2 3.41Å; L204-Q282 VanDerWaalsContact O-NE2 3.07Å; I205-Q282 PolarHBondContact O-NE2 2.93Å; F207-Q282 HydrophobicContact CB-CB 4.33Å; F207-Q282 HydrophobicContact CD1-CB 4.19Å; F207-Q282 HydrophobicContact CD1-CG 3.9Å; F207-Q282 HydrophobicContact CD2-CB 3.63Å; F207-Q282 HydrophobicContact CD2-CG 4.25Å; F207-Q282 HydrophobicContact CE1-CB 4.42Å; F207-Q282 HydrophobicContact CE1-CG 4.02Å; F207-Q282 HydrophobicContact CE2-CB 3.9Å; F207-Q282 HydrophobicContact CE2-CG 4.36Å; F207-Q282 HydrophobicContact CG-CB 3.79Å; F207-Q282 HydrophobicContact CG-CG 4.03Å; F207-Q282 HydrophobicContact CZ-CB 4.3Å; F207-Q282 HydrophobicContact CZ-CG 4.25Å; A278-Q282 VanDerWaalsContact O-CB 3.3Å; A278-Q282 WeakPolarHBondContact O-CB 3.39Å; A278-Q282 PolarHBondContact O-N 2.73Å; D279-Q282 WeakPolarHBondContact O-CB 3.45Å; D279-Q282 PolarHBondContact O-N 3.49Å; Q282-L284 VanDerWaalsContact C-N 3.33Å; Q282-L284 PolarHBondContact O-N 3.47Å; Q282-M285 PolarHBondContact O-N 3.19Å; Q282-A286 VanDerWaalsContact O-CB 3.24Å; Q282-A286 WeakPolarHBondContact O-CB 3.38Å; Q282-A286 PolarHBondContact O-N 2.86Å; Q282-A293 HydrophobicContact CG-CB 4.21Å; Q282-T294 PolarHBondContact NE2-O 2.89Å
283K98.6Very high97.7Very high123 Ų12343.7 Ų43.754%0.53526%0.255SS..Hα-helixtrans-60.1-41.8178.8-72.6169.5-175.2172.60111.9D279 N280 A286 K287 A293D279-K283 VanDerWaalsContact O-CG 3.29Å; D279-K283 WeakPolarHBondContact O-CG 3.48Å; D279-K283 PolarHBondContact O-N 3.37Å; N280-K283 PolarHBondContact O-N 3.37Å; K283-A286 PolarHBondContact O-N 2.83Å; K283-K287 WeakPolarHBondContact O-CB 3.4Å; K283-K287 PolarHBondContact O-N 3.16Å; K283-A293 HydrophobicContact CG-CB 4.18Å
284L98.7Very high97.5Very high66 Ų6640.6 Ų40.635%0.34624%0.239SC..Hα-helixtrans-61.6-47.2175.6178.4149.4000111.8P220 L261 Y264 N280 V281 Q282 K287 A288P220-L284 HydrophobicContact CB-CD2 4.47Å; P220-L284 HydrophobicContact CG-CD2 4.13Å; L261-L284 HydrophobicContact CD1-CD2 3.56Å; Y264-L284 HydrophobicContact CD2-CD1 3.73Å; Y264-L284 HydrophobicContact CE2-CD1 3.92Å; N280-L284 WeakPolarHBondContact O-CB 3.45Å; N280-L284 PolarHBondContact O-N 2.96Å; V281-L284 PolarHBondContact O-N 2.89Å; Q282-L284 VanDerWaalsContact C-N 3.33Å; Q282-L284 PolarHBondContact O-N 3.47Å; L284-K287 PolarHBondContact O-N 3.47Å; L284-A288 PolarHBondContact O-N 2.82Å
285M98.8Very high97.2Very high0 Ų043.1 Ų43.10%025%0.251CS..Hα-helixtrans-66.2-42178.6-69.5178.884.600111.7V117 A119 L204 F207 P220 V221 L222 V281 Q282 A288 L289V117-M285 HydrophobicContact CG2-SD 4.24Å; V117-M285 WeakPolarHBondContact O-CE 3.39Å; A119-M285 HydrophobicContact CB-CE 3.53Å; A119-M285 HydrophobicContact CB-SD 4.36Å; L204-M285 HydrophobicContact CD1-CB 3.73Å; F207-M285 HydrophobicContact CE2-SD 3.57Å; F207-M285 VanDerWaalsContact CE2-SD 3.57Å; F207-M285 HydrophobicContact CZ-SD 3.78Å; P220-M285 HydrophobicContact CB-CE 4.08Å; P220-M285 HydrophobicContact CB-CG 3.67Å; P220-M285 HydrophobicContact CB-SD 3.83Å; V221-M285 WeakPolarHBondContact O-CE 3.36Å; L222-M285 HydrophobicContact CD2-CB 3.91Å; L222-M285 HydrophobicContact CD2-CE 3.61Å; L222-M285 HydrophobicContact CD2-CG 4.02Å; V281-M285 HydrophobicContact CG1-CG 4.37Å; V281-M285 HydrophobicContact CG1-SD 3.97Å; V281-M285 WeakPolarHBondContact O-CB 3.34Å; V281-M285 VanDerWaalsContact O-CG 3.29Å; V281-M285 WeakPolarHBondContact O-CG 3.34Å; V281-M285 PolarHBondContact O-N 2.81Å; Q282-M285 PolarHBondContact O-N 3.19Å; M285-A288 PolarHBondContact O-N 3.49Å; M285-L289 WeakPolarHBondContact O-CB 3.19Å; M285-L289 VanDerWaalsContact O-CG 3.29Å; M285-L289 WeakPolarHBondContact O-CG 3.43Å; M285-L289 PolarHBondContact O-N 2.61Å
286A98.3Very high97Very high3 Ų341.2 Ų41.23%0.02524%0.235CC..Hα-helixtrans-60-47177.300000111.2L204 Q282 K283 A288 L289 G290 V291 A293L204-A286 HydrophobicContact CD1-CB 3.99Å; L204-A286 HydrophobicContact CG-CB 4.29Å; Q282-A286 VanDerWaalsContact O-CB 3.24Å; Q282-A286 WeakPolarHBondContact O-CB 3.38Å; Q282-A286 PolarHBondContact O-N 2.86Å; K283-A286 PolarHBondContact O-N 2.83Å; A286-A288 PolarHBondContact O-N 2.95Å; A286-L289 PolarHBondContact O-N 2.97Å; A286-L289 VanDerWaalsContact O-N 3.16Å; A286-G290 PolarHBondContact O-N 2.85Å; A286-V291 CarbonylContact C-O 3.19Å; A286-V291 HydrophobicContact CB-CG2 4.47Å; A286-V291 WeakPolarHBondContact CB-O 3.17Å; A286-V291 PolarHBondContact O-N 2.54Å; A286-V291 VanDerWaalsContact O-N 3.08Å; A286-V291 VanDerWaalsContact O-O 3.1Å; A286-A293 HydrophobicContact CB-CB 3.74Å
287K98.4Very high96.7Very high184 Ų18440.1 Ų40.180%0.823%0.23SC*.Hα-helixtrans-58.2-46.2174.5-174.9179.1-178.41780111.9K283 L284 L289 G290K283-K287 WeakPolarHBondContact O-CB 3.4Å; K283-K287 PolarHBondContact O-N 3.16Å; L284-K287 PolarHBondContact O-N 3.47Å; K287-L289 VanDerWaalsContact C-N 3.31Å; K287-L289 PolarHBondContact O-N 2.97Å; K287-G290 PolarHBondContact O-N 2.78Å
288A98.4Very high96.2Very high43 Ų4341.7 Ų41.736%0.35524%0.238SC..Hα-helixtrans-68.8-29.3178.400000112.9L222 R224 L261 L284 M285 A286L222-A288 HydrophobicContact CD1-CB 3.71Å; R224-A288 PolarHBondContact NH2-O 3.06Å; L261-A288 HydrophobicContact CD1-CB 3.82Å; L261-A288 HydrophobicContact CD2-CB 4.3Å; L284-A288 PolarHBondContact O-N 2.82Å; M285-A288 PolarHBondContact O-N 3.49Å; A286-A288 PolarHBondContact O-N 2.95Å
289L97.5Very high95.5Very high20 Ų2044.5 Ų44.511%0.10525%0.251CS..Hα-helixtrans-74.9-27.2173.7-76.8168.1000113P120 L204 L222 R224 M285 A286 K287 V291P120-L289 HydrophobicContact CG-CD1 3.9Å; L204-L289 HydrophobicContact CD1-CD1 3.99Å; L204-L289 HydrophobicContact CD2-CD1 3.85Å; L204-L289 HydrophobicContact CG-CD1 4.06Å; L222-L289 HydrophobicContact CB-CD2 4.03Å; L222-L289 HydrophobicContact CD1-CD2 4.02Å; L222-L289 HydrophobicContact CD1-CG 4Å; L222-L289 HydrophobicContact CD2-CD1 4.14Å; L222-L289 HydrophobicContact CD2-CD2 4.19Å; L222-L289 HydrophobicContact CD2-CG 3.88Å; L222-L289 HydrophobicContact CG-CD2 4.31Å; L222-L289 HydrophobicContact CG-CG 4.38Å; R224-L289 HydrophobicContact CG-CD2 4.49Å; R224-L289 PolarHBondContact NH1-O 2.82Å; R224-L289 VanDerWaalsContact NH1-O 3.14Å; M285-L289 WeakPolarHBondContact O-CB 3.19Å; M285-L289 VanDerWaalsContact O-CG 3.29Å; M285-L289 WeakPolarHBondContact O-CG 3.43Å; M285-L289 PolarHBondContact O-N 2.61Å; A286-L289 PolarHBondContact O-N 2.97Å; A286-L289 VanDerWaalsContact O-N 3.16Å; K287-L289 VanDerWaalsContact C-N 3.31Å; K287-L289 PolarHBondContact O-N 2.97Å; L289-V291 HydrophobicContact CB-CG1 4.37Å; L289-V291 HydrophobicContact CB-CG2 3.74Å; L289-V291 HydrophobicContact CD1-CG2 4.17Å
290G96.9Very high94.6Very high69 Ų6946.4 Ų46.471%0.71128%0.278SS*.THydrogen-bonded Turntrans78.132.8-170.700000112.5A286 K287A286-G290 PolarHBondContact O-N 2.85Å; K287-G290 PolarHBondContact O-N 2.78Å
291V96Very high93.5Very high34 Ų3450.3 Ų50.321%0.20629%0.289CS..SBendtrans-129.3156.4-179.2-57.60000110.1L204 A286 L289L204-V291 HydrophobicContact CG-CG2 4.24Å; A286-V291 CarbonylContact C-O 3.19Å; A286-V291 HydrophobicContact CB-CG2 4.47Å; A286-V291 WeakPolarHBondContact CB-O 3.17Å; A286-V291 PolarHBondContact O-N 2.54Å; A286-V291 VanDerWaalsContact O-N 3.08Å; A286-V291 VanDerWaalsContact O-O 3.1Å; L289-V291 HydrophobicContact CB-CG1 4.37Å; L289-V291 HydrophobicContact CB-CG2 3.74Å; L289-V291 HydrophobicContact CD1-CG2 4.17Å
292P95.9Very high92.9Very high40 Ų4051.7 Ų51.726%0.2630%0.297SS..  trans-6814617625.6-34.4000112.4Y13 R202 A203 L204 T294Y13-P292 HydrophobicContact CD1-CB 3.37Å; Y13-P292 HydrophobicContact CD1-CG 3.64Å; Y13-P292 HydrophobicContact CE1-CB 3.47Å; Y13-P292 VanDerWaalsContact CE1-CB 3.47Å; Y13-P292 HydrophobicContact CE1-CG 4.24Å; Y13-P292 HydrophobicContact CG-CB 4.43Å; R202-P292 WeakPolarHBondContact O-CD 3.35Å; A203-P292 CarbonylContact C-O 3.59Å; A203-P292 WeakPolarHBondContact CA-O 3.28Å; A203-P292 HydrophobicContact CB-CG 3.82Å; L204-P292 PolarHBondContact N-O 3.37Å; P292-T294 HydrophobicContact CB-CG2 4.38Å
293A95Very high92.5Very high32 Ų3251.6 Ų51.626%0.26430%0.297SS..BIsolated β-bridgetrans-91.4133.3162.700000108.4Q282 K283 A286Q282-A293 HydrophobicContact CG-CB 4.21Å; K283-A293 HydrophobicContact CG-CB 4.18Å; A286-A293 HydrophobicContact CB-CB 3.74Å
294T92.8Very high92.2Very high7 Ų745.8 Ų45.84%0.04327%0.272CS..  trans-131.7157.5-173.964.50000111.3Y13 A203 L204 I205 K206 Q282 P292 H296Y13-T294 HydrophobicContact CD1-CG2 4.17Å; Y13-T294 HydrophobicContact CD2-CG2 4Å; Y13-T294 HydrophobicContact CG-CG2 3.75Å; A203-T294 HydrophobicContact CB-CG2 3.92Å; L204-T294 PolarHBondContact O-N 3.43Å; L204-T294 PolarHBondContact O-OG1 3.29Å; I205-T294 CarbonylContact C-O 3.57Å; K206-T294 PolarHBondContact N-O 2.87Å; K206-T294 VanDerWaalsContact N-O 3.13Å; Q282-T294 PolarHBondContact NE2-O 2.89Å; P292-T294 HydrophobicContact CB-CG2 4.38Å; T294-H296 WeakPolarHBondContact CB-ND1 3.39Å; T294-H296 PolarHBondContact O-N 2.95Å; T294-H296 PolarHBondContact OG1-ND1 2.82Å
295D90.3Very high91.8Very high87 Ų8743.7 Ų43.747%0.46526%0.263SS..  trans-88.115.6174.1-67-53.6000113.2K206K206-D295 WeakPolarHBondContact CD-OD1 3.49Å; K206-D295 WeakPolarHBondContact CE-OD1 3.5Å; K206-D295 IonicContact NZ-OD1 3.93Å; K206-D295 PolarHBondContact NZ-OD1 2.83Å
296H92.6Very high91.3Very high21 Ų2147 Ų4710%0.09728%0.277CS..  trans-60.3139.3173.6-67.6118000111.2P16 F17 I205 K206 T294 V304P16-H296 HydrophobicContact CG-CB 4.11Å; F17-H296 HydrophobicContact CE2-CB 4Å; F17-H296 HydrophobicContact CZ-CB 4.3Å; I205-H296 HydrophobicContact CB-CB 4.27Å; I205-H296 WeakPolarHBondContact CB-O 3.32Å; I205-H296 HydrophobicContact CG2-CB 3.98Å; K206-H296 WeakPolarHBondContact CB-O 3.04Å; K206-H296 PolarHBondContact N-O 2.92Å; T294-H296 WeakPolarHBondContact CB-ND1 3.39Å; T294-H296 PolarHBondContact O-N 2.95Å; T294-H296 PolarHBondContact OG1-ND1 2.82Å; H296-V304 WeakPolarHBondContact CA-O 3.38Å
297V91.1Very high90.9Very high32 Ų3249 Ų4919%0.19429%0.287CS..EExtended strand (participates in β ladder)trans-139.2153.4175.8-67.50000110.9K206 E299 V304 K306K206-V297 HydrophobicContact CB-CG1 3.58Å; K206-V297 HydrophobicContact CG-CG1 4.15Å; V297-E299 HydrophobicContact CG2-CG 4.01Å; V297-V304 HydrophobicContact CG2-CG2 3.37Å; V297-V304 PolarHBondContact N-O 3.49Å; V297-V304 PolarHBondContact O-N 2.98Å; V297-K306 HydrophobicContact CG2-CG 4.11Å
298M88.3Confident90.3Very high33 Ų3341.2 Ų41.216%0.16326%0.259CS..EExtended strand (participates in β ladder)trans-92.1108.6166-71.3-60.3-6600109.7F17 T197 Y236 P303F17-M298 HydrophobicContact CD1-CG 3.9Å; F17-M298 HydrophobicContact CD1-SD 3.47Å; F17-M298 WeakPolarHBondContact CD1-SD 3.39Å; F17-M298 HydrophobicContact CD2-SD 4.24Å; F17-M298 HydrophobicContact CE1-CG 3.31Å; F17-M298 HydrophobicContact CE1-SD 3.4Å; F17-M298 WeakPolarHBondContact CE1-SD 3.32Å; F17-M298 HydrophobicContact CE2-SD 4.14Å; F17-M298 HydrophobicContact CG-SD 3.89Å; F17-M298 HydrophobicContact CZ-CG 3.77Å; F17-M298 HydrophobicContact CZ-SD 3.73Å; T197-M298 HydrophobicContact CG2-CB 4.18Å; T197-M298 HydrophobicContact CG2-CG 3.45Å; T197-M298 VanDerWaalsContact CG2-CG 3.45Å; Y236-M298 HydrophobicContact CD2-CE 3.91Å; Y236-M298 HydrophobicContact CE2-CE 4.45Å; Y236-M298 HydrophobicContact CG-CE 4.23Å; M298-P303 VanDerWaalsContact SD-CA 3.59Å; M298-P303 HydrophobicContact SD-CB 3.68Å
299E83.8Confident89.8Confident60 Ų6040 Ų4028%0.2825%0.251SS..EExtended strand (participates in β ladder)trans-98.8112.1171.9-73.1-161.5163.700110.5V297 R301 V302 V304 K306 S311V297-E299 HydrophobicContact CG2-CG 4.01Å; E299-R301 PolarHBondContact O-N 2.64Å; E299-V302 PolarHBondContact N-O 2.63Å; E299-V302 PolarHBondContact O-N 3.4Å; E299-V304 HydrophobicContact CB-CG1 4.49Å; E299-V304 HydrophobicContact CB-CG2 4.16Å; E299-V304 HydrophobicContact CG-CG2 3.77Å; E299-K306 WeakPolarHBondContact OE1-CE 3.17Å; E299-K306 IonicContact OE1-NZ 2.81Å; E299-K306 PolarHBondContact OE1-NZ 3.49Å; E299-K306 IonicContact OE2-NZ 2.94Å; E299-S311 PolarHBondContact OE1-OG 2.8Å; E299-S311 VanDerWaalsContact OE2-CB 3.3Å; E299-S311 WeakPolarHBondContact OE2-CB 3.42Å; E299-S311 PolarHBondContact OE2-OG 2.87Å
300G79.3Confident89.5Confident69 Ų6939.1 Ų39.171%0.71125%0.246SC*.THydrogen-bonded Turntrans60.1-104.7-170.400000111.4
301R76.2Confident89.4Confident130 Ų13035.9 Ų35.949%0.49121%0.213SC..THydrogen-bonded Turntrans-118.16.9175.6-64.7-169.2-63-1782.9112.8Y236 E299 S380Y236-R301 WeakPolarHBondContact CE2-O 3.34Å; Y236-R301 PolarHBondContact OH-O 2.75Å; E299-R301 PolarHBondContact O-N 2.64Å; R301-S380 PolarHBondContact NH2-O 2.93Å; R301-S380 VanDerWaalsContact NH2-O 3.14Å
302V85.9Confident89.2Confident28 Ų2834.3 Ų34.317%0.1720%0.203CC..EExtended strand (participates in β ladder)trans-110.1126.8-175.5-173.80000109.4E299 V304 P313 I437E299-V302 PolarHBondContact N-O 2.63Å; E299-V302 PolarHBondContact O-N 3.4Å; V302-V304 HydrophobicContact CB-CG1 4.38Å; V302-V304 HydrophobicContact CG1-CG1 4.02Å; V302-P313 HydrophobicContact CG1-CB 3.94Å; V302-I437 HydrophobicContact CB-CG2 4.49Å; V302-I437 HydrophobicContact CG1-CG2 4.18Å; V302-I437 HydrophobicContact CG2-CG2 4.2Å
303P90.4Very high88.9Confident3 Ų332.4 Ų32.42%0.01919%0.191CC..EExtended strand (participates in β ladder)trans-72.2126169.129.6-32.4000109.6F17 Y236 M298 L314F17-P303 HydrophobicContact CB-CB 4.26Å; F17-P303 HydrophobicContact CD2-CB 3.2Å; F17-P303 HydrophobicContact CD2-CG 4.29Å; F17-P303 HydrophobicContact CE2-CB 3.51Å; F17-P303 HydrophobicContact CG-CB 3.81Å; F17-P303 HydrophobicContact CZ-CB 4.37Å; Y236-P303 HydrophobicContact CD1-CG 4.13Å; Y236-P303 HydrophobicContact CE1-CG 4.09Å; M298-P303 VanDerWaalsContact SD-CA 3.59Å; M298-P303 HydrophobicContact SD-CB 3.68Å; P303-L314 HydrophobicContact CB-CB 4.49Å; P303-L314 HydrophobicContact CB-CD1 4.07Å; P303-L314 HydrophobicContact CB-CG 4.31Å; P303-L314 HydrophobicContact CG-CB 4.42Å; P303-L314 PolarHBondContact O-N 3.4Å
304V91Very high88.7Confident0 Ų032.7 Ų32.70%019%0.188CC..EExtended strand (participates in β ladder)trans-130.2149-178.9-52.10000111.1H296 V297 E299 V302 L312 I437H296-V304 WeakPolarHBondContact CA-O 3.38Å; V297-V304 HydrophobicContact CG2-CG2 3.37Å; V297-V304 PolarHBondContact N-O 3.49Å; V297-V304 PolarHBondContact O-N 2.98Å; E299-V304 HydrophobicContact CB-CG1 4.49Å; E299-V304 HydrophobicContact CB-CG2 4.16Å; E299-V304 HydrophobicContact CG-CG2 3.77Å; V302-V304 HydrophobicContact CB-CG1 4.38Å; V302-V304 HydrophobicContact CG1-CG1 4.02Å; V304-L312 CarbonylContact C-O 3.56Å; V304-L312 WeakPolarHBondContact CA-O 3.19Å; V304-L312 WeakPolarHBondContact CB-O 3.41Å; V304-I437 HydrophobicContact CG1-CD1 3.43Å; V304-I437 VanDerWaalsContact CG1-CD1 3.43Å
305S91.3Very high88.4Confident22 Ų2235.5 Ų35.515%0.15420%0.2CC..EExtended strand (participates in β ladder)trans-91.7156.2158.361.50000109.2L312 Y477S305-L312 PolarHBondContact N-O 2.97Å; S305-L312 PolarHBondContact O-N 3.3Å; S305-Y477 PolarHBondContact OG-OH 3.12Å
306K88.6Confident88.3Confident69 Ų6932.1 Ų32.130%0.318%0.183SC..EExtended strand (participates in β ladder)trans-108.8128.2177.8-71.1-63.2-167.5168.60110.1V297 E299 L310 S311V297-K306 HydrophobicContact CG2-CG 4.11Å; E299-K306 WeakPolarHBondContact OE1-CE 3.17Å; E299-K306 IonicContact OE1-NZ 2.81Å; E299-K306 PolarHBondContact OE1-NZ 3.49Å; E299-K306 IonicContact OE2-NZ 2.94Å; K306-L310 WeakPolarHBondContact CA-O 3.33Å; K306-S311 PolarHBondContact NZ-OG 3.43Å
307L88.9Confident88.3Confident46 Ų4631.3 Ų31.324%0.24118%0.18CC..EExtended strand (participates in β ladder)trans-149.5122.2176.9-172.262.4000110.1G309 L310 L312 T469 K472 V473L307-G309 VanDerWaalsContact C-N 3.28Å; L307-G309 PolarHBondContact O-N 3.39Å; L307-L310 PolarHBondContact N-O 2.69Å; L307-L310 VanDerWaalsContact N-O 3.12Å; L307-L310 WeakPolarHBondContact O-CB 3.47Å; L307-L310 PolarHBondContact O-N 2.85Å; L307-L312 HydrophobicContact CB-CD1 3.67Å; L307-L312 HydrophobicContact CD2-CD1 4.03Å; L307-L312 HydrophobicContact CG-CD1 4.48Å; L307-T469 HydrophobicContact CD1-CG2 3.79Å; L307-T469 HydrophobicContact CG-CG2 3.78Å; L307-K472 HydrophobicContact CD2-CB 4.29Å; L307-K472 HydrophobicContact CD2-CD 4.1Å; L307-K472 HydrophobicContact CD2-CG 4.26Å; L307-V473 HydrophobicContact CD2-CG2 3.81Å; L307-V473 HydrophobicContact CG-CG2 4.26Å
308G86.6Confident88.3Confident21 Ų2129.8 Ų29.822%0.21617%0.171CC..THydrogen-bonded Turntrans58.135.5178.900000114.5L310 Y470G308-L310 PolarHBondContact O-N 3.34Å; G308-Y470 VanDerWaalsContact O-CE1 3.28Å; G308-Y470 WeakPolarHBondContact O-CE1 3.03Å; G308-Y470 PolarHBondContact O-OH 2.94Å
309G87.8Confident88.4Confident18 Ų1832.2 Ų32.219%0.18618%0.178CC..THydrogen-bonded Turntrans83.5-23.8-174.300000114.5L307 N441L307-G309 VanDerWaalsContact C-N 3.28Å; L307-G309 PolarHBondContact O-N 3.39Å; G309-N441 CarbonylContact C-O 3.52Å; G309-N441 WeakPolarHBondContact CA-O 3.32Å
310L92.2Very high88.7Confident0 Ų031.4 Ų31.40%018%0.177CC..EExtended strand (participates in β ladder)trans-75.7145.4-176.8-58.4172.9000112.6K306 L307 G308 L312 M431 L435 Q439 T442 L445 Y470 V473K306-L310 WeakPolarHBondContact CA-O 3.33Å; L307-L310 PolarHBondContact N-O 2.69Å; L307-L310 VanDerWaalsContact N-O 3.12Å; L307-L310 WeakPolarHBondContact O-CB 3.47Å; L307-L310 PolarHBondContact O-N 2.85Å; G308-L310 PolarHBondContact O-N 3.34Å; L310-L312 HydrophobicContact CB-CD2 4.18Å; L310-M431 HydrophobicContact CD1-CE 3.84Å; L310-M431 HydrophobicContact CD2-CB 4.3Å; L310-M431 HydrophobicContact CD2-CE 4.45Å; L310-M431 HydrophobicContact CD2-CG 4.42Å; L310-L435 HydrophobicContact CB-CD1 4.42Å; L310-L435 HydrophobicContact CD1-CD1 4.5Å; L310-Q439 HydrophobicContact CD2-CG 4.44Å; L310-T442 HydrophobicContact CD2-CG2 3.95Å; L310-L445 HydrophobicContact CD1-CD2 4.4Å; L310-L445 HydrophobicContact CD2-CD2 4.33Å; L310-Y470 HydrophobicContact CD1-CD1 4.03Å; L310-Y470 HydrophobicContact CD1-CE1 4.06Å; L310-Y470 HydrophobicContact CG-CE1 4.4Å; L310-V473 HydrophobicContact CD1-CG1 4.18Å; L310-V473 HydrophobicContact CD1-CG2 4.23Å
311S93Very high89.4Confident1 Ų128.1 Ų28.11%0.00714%0.143CC..EExtended strand (participates in β ladder)trans-90.3115.2167.8-61.20000109.4E299 K306 I437 Q439E299-S311 PolarHBondContact OE1-OG 2.8Å; E299-S311 VanDerWaalsContact OE2-CB 3.3Å; E299-S311 WeakPolarHBondContact OE2-CB 3.42Å; E299-S311 PolarHBondContact OE2-OG 2.87Å; K306-S311 PolarHBondContact NZ-OG 3.43Å; S311-I437 WeakPolarHBondContact O-CD1 3.36Å; S311-Q439 PolarHBondContact O-NE2 3.32Å
312L92.1Very high90.2Very high1 Ų122.4 Ų22.41%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-108.6113.6-179.9-53178.2000109.4V304 S305 L307 L310 L314 L435 V473 Y477V304-L312 CarbonylContact C-O 3.56Å; V304-L312 WeakPolarHBondContact CA-O 3.19Å; V304-L312 WeakPolarHBondContact CB-O 3.41Å; S305-L312 PolarHBondContact N-O 2.97Å; S305-L312 PolarHBondContact O-N 3.3Å; L307-L312 HydrophobicContact CB-CD1 3.67Å; L307-L312 HydrophobicContact CD2-CD1 4.03Å; L307-L312 HydrophobicContact CG-CD1 4.48Å; L310-L312 HydrophobicContact CB-CD2 4.18Å; L312-L314 PolarHBondContact O-N 3.22Å; L312-L435 HydrophobicContact CD2-CD1 3.92Å; L312-L435 HydrophobicContact CD2-CD2 3.74Å; L312-V473 HydrophobicContact CD1-CG2 4.11Å; L312-V473 HydrophobicContact CD2-CG1 3.69Å; L312-V473 HydrophobicContact CD2-CG2 4.23Å; L312-Y477 HydrophobicContact CB-CD1 4.15Å; L312-Y477 HydrophobicContact CB-CD2 4.45Å; L312-Y477 HydrophobicContact CB-CE1 3.78Å; L312-Y477 HydrophobicContact CB-CE2 4.12Å; L312-Y477 HydrophobicContact CB-CG 4.47Å; L312-Y477 HydrophobicContact CD1-CD2 3.83Å; L312-Y477 HydrophobicContact CD1-CE2 3.52Å; L312-Y477 HydrophobicContact CD2-CD2 4.45Å; L312-Y477 HydrophobicContact CD2-CG 4.47Å; L312-Y477 HydrophobicContact CG-CD2 4.48Å; L312-Y477 HydrophobicContact CG-CE2 4.36Å
313P91.1Very high90.5Very high1 Ų123.5 Ų23.51%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-65.2130.5-178.327-33.7000111.3V302 E315 P316 I437 Y477V302-P313 HydrophobicContact CG1-CB 3.94Å; P313-E315 PolarHBondContact O-N 3.22Å; P313-P316 HydrophobicContact CG-CB 4.22Å; P313-P316 HydrophobicContact CG-CG 4.37Å; P313-I437 HydrophobicContact CB-CD1 4.26Å; P313-I437 HydrophobicContact CG-CD1 4.37Å; P313-I437 HydrophobicContact CG-CG1 4.44Å; P313-Y477 WeakPolarHBondContact O-CE1 3.33Å
314L88.9Confident90.5Very high37 Ų3725.3 Ų25.319%0.19414%0.141CC..SBendtrans-63.8-29.3176.6-63.8-171.6000112.6H15 F17 P303 L312H15-L314 WeakPolarHBondContact NE2-CB 3.32Å; F17-L314 HydrophobicContact CD2-CD1 3.95Å; F17-L314 HydrophobicContact CE2-CD1 4.13Å; P303-L314 HydrophobicContact CB-CB 4.49Å; P303-L314 HydrophobicContact CB-CD1 4.07Å; P303-L314 HydrophobicContact CB-CG 4.31Å; P303-L314 HydrophobicContact CG-CB 4.42Å; P303-L314 PolarHBondContact O-N 3.4Å; L312-L314 PolarHBondContact O-N 3.22Å
315E86.9Confident90.6Very high66 Ų6625.4 Ų25.431%0.30814%0.141SC..SBendtrans-121.497167.4-64.2-169.1118.300107.9K237 P313 V320K237-E315 WeakPolarHBondContact CD-OE2 3.31Å; K237-E315 IonicContact NZ-OE1 2.63Å; K237-E315 PolarHBondContact NZ-OE1 2.99Å; K237-E315 IonicContact NZ-OE2 3.86Å; K237-E315 PolarHBondContact NZ-OE2 3.24Å; P313-E315 PolarHBondContact O-N 3.22Å; E315-V320 HydrophobicContact CB-CG2 4.35Å
316P89.6Confident90.6Very high16 Ų1630.5 Ų30.510%0.10416%0.157CC..  trans-58.2126.8-176.8-27.335.3000112.5P313 G318 R319 V320 L397 Y477P313-P316 HydrophobicContact CG-CB 4.22Å; P313-P316 HydrophobicContact CG-CG 4.37Å; P316-G318 PolarHBondContact O-N 2.76Å; P316-R319 HydrophobicContact CB-CB 4.14Å; P316-R319 WeakPolarHBondContact O-CB 3.43Å; P316-R319 PolarHBondContact O-N 2.73Å; P316-V320 PolarHBondContact O-N 2.99Å; P316-V320 VanDerWaalsContact O-N 3.11Å; P316-L397 HydrophobicContact CB-CD1 3.88Å; P316-Y477 HydrophobicContact CG-CD1 4.26Å
317P90.7Very high90.7Very high5 Ų535.2 Ų35.23%0.03218%0.177CC..Hα-helixtrans-53.3-39.8179.7-31.238.1000113.3R319 V320 T321 L378 Y379 I437P317-R319 PolarHBondContact O-N 2.97Å; P317-V320 PolarHBondContact O-N 3.09Å; P317-T321 WeakPolarHBondContact O-CB 3.48Å; P317-T321 PolarHBondContact O-N 3.23Å; P317-T321 PolarHBondContact O-OG1 3.24Å; P317-L378 HydrophobicContact CB-CB 4.23Å; P317-Y379 HydrophobicContact CB-CD1 4.19Å; P317-Y379 HydrophobicContact CB-CE1 3.65Å; P317-Y379 HydrophobicContact CB-CE2 4.23Å; P317-I437 HydrophobicContact CG-CG2 4Å
318G91.6Very high90.7Very high0 Ų035.1 Ų35.10%018%0.177CC..Hα-helixtrans-59.8-42.317600000112.8P316 T321 L322 Y379P316-G318 PolarHBondContact O-N 2.76Å; G318-T321 WeakPolarHBondContact O-CB 3.18Å; G318-T321 PolarHBondContact O-N 2.86Å; G318-L322 WeakPolarHBondContact O-CG 3.44Å; G318-L322 PolarHBondContact O-N 3.47Å; G318-Y379 PolarHBondContact N-OH 3Å
319R90.9Very high90.8Very high84 Ų8436.8 Ų36.832%0.31720%0.195SC..Hα-helixtrans-64.9-46.1177.4-165.6177.3-75.3-11415.8111.9P316 P317 T321 L322 S323 L397 E481P316-R319 HydrophobicContact CB-CB 4.14Å; P316-R319 WeakPolarHBondContact O-CB 3.43Å; P316-R319 PolarHBondContact O-N 2.73Å; P317-R319 PolarHBondContact O-N 2.97Å; R319-T321 VanDerWaalsContact C-N 3.28Å; R319-T321 PolarHBondContact O-N 2.93Å; R319-L322 PolarHBondContact O-N 2.78Å; R319-S323 PolarHBondContact O-N 2.85Å; R319-L397 HydrophobicContact CB-CD1 3.9Å; R319-L397 VanDerWaalsContact N-CD1 3.33Å; R319-E481 IonicContact CZ-OE1 2.62Å; R319-E481 IonicContact CZ-OE2 2.85Å; R319-E481 IonicContact NH1-OE1 3.72Å; R319-E481 PolarHBondContact NH1-OE1 2.98Å; R319-E481 IonicContact NH1-OE2 3.73Å; R319-E481 PolarHBondContact NH1-OE2 3.34Å; R319-E481 IonicContact NH2-OE1 3.9Å; R319-E481 PolarHBondContact NH2-OE1 3.14Å; R319-E481 IonicContact NH2-OE2 3.25Å
320V90.6Very high91Very high42 Ų4236.9 Ų36.926%0.25519%0.191SC..Hα-helixtrans-64-39.4177.9-177.50000110.1E315 P316 P317 S323 L324 L378E315-V320 HydrophobicContact CB-CG2 4.35Å; P316-V320 PolarHBondContact O-N 2.99Å; P316-V320 VanDerWaalsContact O-N 3.11Å; P317-V320 PolarHBondContact O-N 3.09Å; V320-S323 PolarHBondContact O-N 2.82Å; V320-L324 HydrophobicContact CG1-CD1 4.27Å; V320-L324 WeakPolarHBondContact O-CG 3.45Å; V320-L324 PolarHBondContact O-N 3.14Å; V320-L378 HydrophobicContact CB-CD1 3.86Å; V320-L378 HydrophobicContact CB-CD2 4.47Å; V320-L378 HydrophobicContact CG1-CD1 3.75Å; V320-L378 HydrophobicContact CG1-CD2 4.06Å
321T93.2Very high91Very high0 Ų042.6 Ų42.60%022%0.217CC..Hα-helixtrans-59.9-52.2175.2-57.90000110.6P317 G318 R319 S323 L324 L325 I375 Y379 L390 V394P317-T321 WeakPolarHBondContact O-CB 3.48Å; P317-T321 PolarHBondContact O-N 3.23Å; P317-T321 PolarHBondContact O-OG1 3.24Å; G318-T321 WeakPolarHBondContact O-CB 3.18Å; G318-T321 PolarHBondContact O-N 2.86Å; R319-T321 VanDerWaalsContact C-N 3.28Å; R319-T321 PolarHBondContact O-N 2.93Å; T321-S323 VanDerWaalsContact C-N 3.29Å; T321-S323 PolarHBondContact O-N 2.81Å; T321-L324 PolarHBondContact O-N 2.92Å; T321-L325 HydrophobicContact CG2-CD1 4.09Å; T321-L325 HydrophobicContact CG2-CG 4.36Å; T321-L325 WeakPolarHBondContact O-CG 3.31Å; T321-L325 PolarHBondContact O-N 3.15Å; T321-I375 HydrophobicContact CG2-CD1 4.18Å; T321-I375 HydrophobicContact CG2-CG1 4.23Å; T321-I375 HydrophobicContact CG2-CG2 3.96Å; T321-Y379 PolarHBondContact OG1-OH 2.56Å; T321-L390 HydrophobicContact CG2-CG 4.49Å; T321-V394 HydrophobicContact CG2-CG2 3.76Å
322L92.6Very high90.9Very high11 Ų1145.4 Ų45.46%0.05824%0.24CC..Hα-helixtrans-54.3-45.1175.6-77.9171.2000112G318 R319 L324 L325 R326 I335 V394 L397G318-L322 WeakPolarHBondContact O-CG 3.44Å; G318-L322 PolarHBondContact O-N 3.47Å; R319-L322 PolarHBondContact O-N 2.78Å; L322-L324 VanDerWaalsContact C-N 3.34Å; L322-L324 PolarHBondContact O-N 2.87Å; L322-L325 PolarHBondContact O-N 2.95Å; L322-R326 WeakPolarHBondContact O-CB 3.17Å; L322-R326 WeakPolarHBondContact O-CG 3.32Å; L322-R326 PolarHBondContact O-N 3.27Å; L322-I335 HydrophobicContact CD2-CG2 4.33Å; L322-V394 HydrophobicContact CD1-CG1 4.38Å; L322-V394 HydrophobicContact CD2-CG1 3.55Å; L322-V394 HydrophobicContact CG-CG1 3.81Å; L322-L397 HydrophobicContact CD1-CB 4.01Å; L322-L397 WeakPolarHBondContact CD1-O 3.43Å
323S91.9Very high90.9Very high50 Ų5051 Ų5135%0.3527%0.266SS..Hα-helixtrans-62.4-39.7177.3178.70000112.5R319 V320 T321 K327R319-S323 PolarHBondContact O-N 2.85Å; V320-S323 PolarHBondContact O-N 2.82Å; T321-S323 VanDerWaalsContact C-N 3.29Å; T321-S323 PolarHBondContact O-N 2.81Å; S323-K327 VanDerWaalsContact O-CB 3.32Å; S323-K327 WeakPolarHBondContact O-CB 3.43Å; S323-K327 VanDerWaalsContact O-CG 3.24Å; S323-K327 WeakPolarHBondContact O-CG 3.29Å; S323-K327 PolarHBondContact O-N 2.97Å
324L92.1Very high90.9Very high42 Ų4255.1 Ų55.122%0.2229%0.286CS..Hα-helixtrans-68.3-40.9178.5-73.4172.9000112V320 T321 L322 K327 N328 T371 I375V320-L324 HydrophobicContact CG1-CD1 4.27Å; V320-L324 WeakPolarHBondContact O-CG 3.45Å; V320-L324 PolarHBondContact O-N 3.14Å; T321-L324 PolarHBondContact O-N 2.92Å; L322-L324 VanDerWaalsContact C-N 3.34Å; L322-L324 PolarHBondContact O-N 2.87Å; L324-K327 PolarHBondContact O-N 3.42Å; L324-N328 PolarHBondContact O-N 3.26Å; L324-N328 VanDerWaalsContact O-N 3.11Å; L324-N328 PolarHBondContact O-ND2 3.01Å; L324-T371 HydrophobicContact CB-CG2 4.42Å; L324-I375 HydrophobicContact CD1-CG1 3.93Å
325L92.3Very high91.1Very high1 Ų153.5 Ų53.51%0.00528%0.277CS..Hα-helixtrans-64.7-48.4177.1-62178.2000111.2T321 L322 K327 N328 G329 L330 I335 L364 L366 I375T321-L325 HydrophobicContact CG2-CD1 4.09Å; T321-L325 HydrophobicContact CG2-CG 4.36Å; T321-L325 WeakPolarHBondContact O-CG 3.31Å; T321-L325 PolarHBondContact O-N 3.15Å; L322-L325 PolarHBondContact O-N 2.95Å; L325-K327 VanDerWaalsContact C-N 3.34Å; L325-K327 PolarHBondContact O-N 3.2Å; L325-N328 CarbonylContact O-C 3.57Å; L325-N328 PolarHBondContact O-N 3.41Å; L325-G329 PolarHBondContact O-N 2.76Å; L325-L330 HydrophobicContact CB-CB 4.48Å; L325-L330 HydrophobicContact CB-CD2 4.44Å; L325-L330 HydrophobicContact CD2-CD2 4.19Å; L325-L330 PolarHBondContact O-N 3.49Å; L325-I335 HydrophobicContact CB-CD1 3.87Å; L325-I335 HydrophobicContact CB-CG1 4.19Å; L325-I335 HydrophobicContact CD1-CD1 4.38Å; L325-I335 HydrophobicContact CD1-CG1 4.18Å; L325-I335 HydrophobicContact CD1-CG2 4Å; L325-L364 HydrophobicContact CD1-CD2 4.2Å; L325-L364 HydrophobicContact CD2-CD1 3.82Å; L325-L364 HydrophobicContact CD2-CD2 4.07Å; L325-L364 HydrophobicContact CD2-CG 4.47Å; L325-L366 HydrophobicContact CD2-CD2 4.02Å; L325-I375 HydrophobicContact CD2-CD1 3.77Å; L325-I375 HydrophobicContact CG-CD1 4.42Å
326R91.4Very high91.4Very high130 Ų13055 Ų5549%0.49128%0.282SS..Hα-helixtrans-60.4-41.6176.4-70.4178.4-177.7-173.20.9111.9L322 N328 G329 I335 E483L322-R326 WeakPolarHBondContact O-CB 3.17Å; L322-R326 WeakPolarHBondContact O-CG 3.32Å; L322-R326 PolarHBondContact O-N 3.27Å; R326-N328 PolarHBondContact O-N 2.92Å; R326-G329 PolarHBondContact O-N 2.88Å; R326-I335 HydrophobicContact CG-CD1 4.34Å; R326-E483 IonicContact CZ-OE1 3.1Å; R326-E483 IonicContact NH1-OE1 3.05Å; R326-E483 PolarHBondContact NH1-OE1 2.85Å
327K90.7Very high91.6Very high167 Ų16756.6 Ų56.673%0.72630%0.297SS*.Hα-helixtrans-64.1-25.6175.5-79.7176.9-178.7176.10113.6S323 L324 L325S323-K327 VanDerWaalsContact O-CB 3.32Å; S323-K327 WeakPolarHBondContact O-CB 3.43Å; S323-K327 VanDerWaalsContact O-CG 3.24Å; S323-K327 WeakPolarHBondContact O-CG 3.29Å; S323-K327 PolarHBondContact O-N 2.97Å; L324-K327 PolarHBondContact O-N 3.42Å; L325-K327 VanDerWaalsContact C-N 3.34Å; L325-K327 PolarHBondContact O-N 3.2Å
328N89.1Confident91.6Very high44 Ų4456.6 Ų56.624%0.23530%0.297CS..THydrogen-bonded Turntrans-85.45173.6-85.1-87.5000113.3L324 L325 R326 L330 L366 T371L324-N328 PolarHBondContact O-N 3.26Å; L324-N328 VanDerWaalsContact O-N 3.11Å; L324-N328 PolarHBondContact O-ND2 3.01Å; L325-N328 CarbonylContact O-C 3.57Å; L325-N328 PolarHBondContact O-N 3.41Å; R326-N328 PolarHBondContact O-N 2.92Å; N328-L330 HydrophobicContact CB-CD1 4.14Å; N328-L366 HydrophobicContact CB-CD2 4.49Å; N328-T371 VanDerWaalsContact ND2-CG2 3.29Å; N328-T371 WeakPolarHBondContact ND2-CG2 3.15Å; N328-T371 PolarHBondContact ND2-OG1 3.22Å; N328-T371 PolarHBondContact OD1-OG1 2.69Å
329G89.2Confident91.7Very high57 Ų5756.8 Ų56.859%0.58830%0.298SS*.THydrogen-bonded Turntrans83.514.1175.100000114.6L325 R326L325-G329 PolarHBondContact O-N 2.76Å; R326-G329 PolarHBondContact O-N 2.88Å
330L91.9Very high91.7Very high20 Ų2055.8 Ų55.811%0.10530%0.302CS..  trans-76129.7173-81.170.5000110L325 N328 E334 I335 L366L325-L330 HydrophobicContact CB-CB 4.48Å; L325-L330 HydrophobicContact CB-CD2 4.44Å; L325-L330 HydrophobicContact CD2-CD2 4.19Å; L325-L330 PolarHBondContact O-N 3.49Å; N328-L330 HydrophobicContact CB-CD1 4.14Å; L330-E334 WeakPolarHBondContact CA-OE2 3.44Å; L330-I335 HydrophobicContact CB-CD1 4.29Å; L330-I335 HydrophobicContact CB-CG1 3.87Å; L330-I335 HydrophobicContact CD2-CG1 4.26Å; L330-L366 HydrophobicContact CD1-CD2 3.94Å; L330-L366 HydrophobicContact CD2-CD2 4.4Å
331E91.9Very high91.7Very high120 Ų12059.7 Ų59.756%0.56132%0.315SS*.  trans-80.9161.6174.1-66.2-167.1176.400112.2H333 E334 I335E331-H333 WeakPolarHBondContact CB-ND1 3.35Å; E331-H333 PolarHBondContact O-N 2.82Å; E331-H333 VanDerWaalsContact O-N 3.17Å; E331-H333 IonicContact OE2-CE1 2.64Å; E331-H333 PolarHBondContact OE2-CE1 2.79Å; E331-H333 IonicContact OE2-ND1 2.86Å; E331-H333 PolarHBondContact OE2-ND1 3.04Å; E331-E334 HydrophobicContact CB-CG 4.46Å; E331-E334 PolarHBondContact N-OE2 3.13Å; E331-E334 PolarHBondContact O-N 3.45Å; E331-E334 VanDerWaalsContact O-N 3.08Å; E331-I335 WeakPolarHBondContact O-CG1 3.44Å; E331-I335 PolarHBondContact O-N 3.36Å
332A90.4Very high91.6Very high59 Ų5959.8 Ų59.849%0.48832%0.316SS..Hα-helixtrans-51.9-40179.300000113.2K336 F400A332-K336 WeakPolarHBondContact O-CB 3.09Å; A332-K336 PolarHBondContact O-N 3.34Å; A332-F400 HydrophobicContact CB-CE1 4Å; A332-F400 HydrophobicContact CB-CZ 4.42Å; A332-F400 WeakPolarHBondContact O-CE1 3.36Å; A332-F400 WeakPolarHBondContact O-CZ 3.34Å
333H91.1Very high91.4Very high119 Ų11959.4 Ų59.455%0.55131%0.314SS*.Hα-helixtrans-70.5-36.3-179.276.3-88.9000112.5E331 A337E331-H333 WeakPolarHBondContact CB-ND1 3.35Å; E331-H333 PolarHBondContact O-N 2.82Å; E331-H333 VanDerWaalsContact O-N 3.17Å; E331-H333 IonicContact OE2-CE1 2.64Å; E331-H333 PolarHBondContact OE2-CE1 2.79Å; E331-H333 IonicContact OE2-ND1 2.86Å; E331-H333 PolarHBondContact OE2-ND1 3.04Å; H333-A337 WeakPolarHBondContact O-CB 3.33Å; H333-A337 PolarHBondContact O-N 2.68Å
334E92.6Very high91.2Very high88 Ų8860.8 Ų60.841%0.41132%0.317SS..Hα-helixtrans-69.8-43176.6-59.5178.7114.400111L330 E331 A337 A338L330-E334 WeakPolarHBondContact CA-OE2 3.44Å; E331-E334 HydrophobicContact CB-CG 4.46Å; E331-E334 PolarHBondContact N-OE2 3.13Å; E331-E334 PolarHBondContact O-N 3.45Å; E331-E334 VanDerWaalsContact O-N 3.08Å; E334-A337 PolarHBondContact O-N 2.91Å; E334-A338 WeakPolarHBondContact O-CB 3.33Å; E334-A338 PolarHBondContact O-N 2.83Å
335I92.8Very high91Very high2 Ų260.2 Ų60.21%0.0131%0.312CS..Hα-helixtrans-60.1-48.7175-62171.4000109.4L322 L325 R326 L330 E331 A337 A338 L339 F400L322-I335 HydrophobicContact CD2-CG2 4.33Å; L325-I335 HydrophobicContact CB-CD1 3.87Å; L325-I335 HydrophobicContact CB-CG1 4.19Å; L325-I335 HydrophobicContact CD1-CD1 4.38Å; L325-I335 HydrophobicContact CD1-CG1 4.18Å; L325-I335 HydrophobicContact CD1-CG2 4Å; R326-I335 HydrophobicContact CG-CD1 4.34Å; L330-I335 HydrophobicContact CB-CD1 4.29Å; L330-I335 HydrophobicContact CB-CG1 3.87Å; L330-I335 HydrophobicContact CD2-CG1 4.26Å; E331-I335 WeakPolarHBondContact O-CG1 3.44Å; E331-I335 PolarHBondContact O-N 3.36Å; I335-A337 PolarHBondContact O-N 2.91Å; I335-A338 PolarHBondContact O-N 2.78Å; I335-L339 HydrophobicContact CG2-CD1 4.08Å; I335-L339 HydrophobicContact CG2-CG 4.38Å; I335-L339 VanDerWaalsContact O-CG 3.31Å; I335-L339 WeakPolarHBondContact O-CG 3.43Å; I335-L339 PolarHBondContact O-N 2.63Å; I335-F400 HydrophobicContact CB-CE2 4.3Å; I335-F400 HydrophobicContact CB-CZ 4.16Å; I335-F400 HydrophobicContact CG2-CE2 3.76Å; I335-F400 HydrophobicContact CG2-CZ 4.07Å
336K92.8Very high90.7Very high98 Ų9861.2 Ų61.243%0.42632%0.319SS..Hα-helixtrans-59.1-45177.8-173.8172.4-178.11670111.8A332 A338 L339 T340 F400A332-K336 WeakPolarHBondContact O-CB 3.09Å; A332-K336 PolarHBondContact O-N 3.34Å; K336-A338 VanDerWaalsContact C-N 3.34Å; K336-A338 PolarHBondContact O-N 3.38Å; K336-L339 PolarHBondContact O-N 2.91Å; K336-T340 PolarHBondContact O-N 3.45Å; K336-T340 PolarHBondContact O-OG1 2.84Å; K336-T340 VanDerWaalsContact O-OG1 3.1Å; K336-F400 HydrophobicContact CB-CD1 4.21Å; K336-F400 HydrophobicContact CB-CD2 4.32Å; K336-F400 HydrophobicContact CB-CE1 4.29Å; K336-F400 HydrophobicContact CB-CE2 4.41Å; K336-F400 HydrophobicContact CB-CG 4.23Å; K336-F400 HydrophobicContact CB-CZ 4.39Å; K336-F400 HydrophobicContact CD-CB 4.19Å; K336-F400 HydrophobicContact CD-CD1 4.14Å; K336-F400 HydrophobicContact CD-CG 4.22Å; K336-F400 HydrophobicContact CG-CB 4.41Å; K336-F400 HydrophobicContact CG-CD1 4.45Å; K336-F400 HydrophobicContact CG-CG 4.24Å; K336-F400 PolarHBondContact NZ-O 2.95Å
337A92.8Very high90.4Very high49 Ų4961.7 Ų61.741%0.40532%0.321SS..Hα-helixtrans-62.3-40.7177.500000112.3H333 E334 I335 T340 K341H333-A337 WeakPolarHBondContact O-CB 3.33Å; H333-A337 PolarHBondContact O-N 2.68Å; E334-A337 PolarHBondContact O-N 2.91Å; I335-A337 PolarHBondContact O-N 2.91Å; A337-T340 PolarHBondContact O-N 2.8Å; A337-K341 WeakPolarHBondContact O-CG 3.22Å; A337-K341 PolarHBondContact O-N 3.02Å; A337-K341 VanDerWaalsContact O-N 3.09Å
338A92.5Very high90Very high5 Ų557.6 Ų57.64%0.04131%0.313CS..Hα-helixtrans-66.2-42176.500000112.1E334 I335 K336 T340 K341 M342 L364E334-A338 WeakPolarHBondContact O-CB 3.33Å; E334-A338 PolarHBondContact O-N 2.83Å; I335-A338 PolarHBondContact O-N 2.78Å; K336-A338 VanDerWaalsContact C-N 3.34Å; K336-A338 PolarHBondContact O-N 3.38Å; A338-T340 VanDerWaalsContact C-N 3.34Å; A338-T340 PolarHBondContact O-N 3.3Å; A338-K341 WeakPolarHBondContact O-CB 3.4Å; A338-K341 PolarHBondContact O-N 3.49Å; A338-M342 WeakPolarHBondContact O-CG 3.3Å; A338-M342 PolarHBondContact O-N 3.45Å; A338-L364 HydrophobicContact CB-CD2 3.73Å
339L92.5Very high89.1Confident4 Ų458.4 Ų58.42%0.02133%0.331CS..Hα-helixtrans-60.2-42.3174.7-71.4175.7000111.9I335 K336 K341 M342 I343 L390 Y391 V394 F400I335-L339 HydrophobicContact CG2-CD1 4.08Å; I335-L339 HydrophobicContact CG2-CG 4.38Å; I335-L339 VanDerWaalsContact O-CG 3.31Å; I335-L339 WeakPolarHBondContact O-CG 3.43Å; I335-L339 PolarHBondContact O-N 2.63Å; K336-L339 PolarHBondContact O-N 2.91Å; L339-K341 PolarHBondContact O-N 3.29Å; L339-M342 HydrophobicContact CD2-SD 4.16Å; L339-M342 WeakPolarHBondContact O-CB 3.44Å; L339-M342 PolarHBondContact O-N 3.02Å; L339-I343 PolarHBondContact O-N 3.48Å; L339-I343 VanDerWaalsContact O-N 3.08Å; L339-L390 HydrophobicContact CD2-CD2 3.82Å; L339-Y391 HydrophobicContact CB-CD2 3.76Å; L339-Y391 HydrophobicContact CB-CE2 4.01Å; L339-Y391 HydrophobicContact CD2-CD2 4.28Å; L339-Y391 VanDerWaalsContact O-CD2 3.26Å; L339-Y391 WeakPolarHBondContact O-CD2 3.33Å; L339-V394 HydrophobicContact CD1-CB 4.39Å; L339-V394 HydrophobicContact CD1-CG1 3.68Å; L339-V394 HydrophobicContact CD2-CB 4.25Å; L339-V394 HydrophobicContact CD2-CG1 4.16Å; L339-V394 HydrophobicContact CG-CG1 4.46Å; L339-F400 HydrophobicContact CD1-CD2 3.85Å; L339-F400 HydrophobicContact CD1-CE2 3.9Å
340T91Very high87.8Confident63 Ų6359.7 Ų59.739%0.38734%0.337SS..Hα-helixtrans-60.8-45174.7-56.50000111.6K336 A337 A338 M342 I343 D344K336-T340 PolarHBondContact O-N 3.45Å; K336-T340 PolarHBondContact O-OG1 2.84Å; K336-T340 VanDerWaalsContact O-OG1 3.1Å; A337-T340 PolarHBondContact O-N 2.8Å; A338-T340 VanDerWaalsContact C-N 3.34Å; A338-T340 PolarHBondContact O-N 3.3Å; T340-M342 VanDerWaalsContact C-N 3.25Å; T340-M342 PolarHBondContact O-N 3.33Å; T340-I343 VanDerWaalsContact O-CG2 3.32Å; T340-I343 WeakPolarHBondContact O-CG2 3.39Å; T340-I343 PolarHBondContact O-N 2.85Å; T340-D344 WeakPolarHBondContact O-CB 3.39Å; T340-D344 VanDerWaalsContact O-CG 3.24Å; T340-D344 PolarHBondContact O-N 3.2Å
341K90.1Very high86.5Confident125 Ų12565.2 Ų65.254%0.54336%0.362SS..Hα-helixtrans-58.1-38.4175.1-70.1174-175.5176.60112.4A337 A338 L339 R345A337-K341 WeakPolarHBondContact O-CG 3.22Å; A337-K341 PolarHBondContact O-N 3.02Å; A337-K341 VanDerWaalsContact O-N 3.09Å; A338-K341 WeakPolarHBondContact O-CB 3.4Å; A338-K341 PolarHBondContact O-N 3.49Å; L339-K341 PolarHBondContact O-N 3.29Å; K341-R345 WeakPolarHBondContact O-CB 3.38Å; K341-R345 PolarHBondContact O-N 3.07Å
342M91.1Very high85.9Confident1 Ų161.4 Ų61.41%0.00536%0.355CS..Hα-helixtrans-65.4-46.9178.6-68.9175.6-170.500112.3A338 L339 T340 R345 C346 L360 I363 L364 L387 L390A338-M342 WeakPolarHBondContact O-CG 3.3Å; A338-M342 PolarHBondContact O-N 3.45Å; L339-M342 HydrophobicContact CD2-SD 4.16Å; L339-M342 WeakPolarHBondContact O-CB 3.44Å; L339-M342 PolarHBondContact O-N 3.02Å; T340-M342 VanDerWaalsContact C-N 3.25Å; T340-M342 PolarHBondContact O-N 3.33Å; M342-R345 PolarHBondContact O-N 3.45Å; M342-C346 PolarHBondContact O-N 2.83Å; M342-C346 VanDerWaalsContact O-N 3.09Å; M342-C346 PolarHBondContact O-SG 3.16Å; M342-L360 HydrophobicContact CE-CD1 3.68Å; M342-I363 HydrophobicContact CE-CB 4.42Å; M342-I363 HydrophobicContact CE-CG2 3.56Å; M342-I363 HydrophobicContact CG-CG2 3.62Å; M342-I363 HydrophobicContact SD-CG2 4.46Å; M342-L364 HydrophobicContact CE-CD1 4.25Å; M342-L364 HydrophobicContact CE-CD2 3.61Å; M342-L364 HydrophobicContact CE-CG 3.66Å; M342-L387 HydrophobicContact CB-CB 4.24Å; M342-L387 HydrophobicContact CB-CD1 4.41Å; M342-L387 HydrophobicContact CB-CD2 4.41Å; M342-L387 HydrophobicContact CG-CD1 4.46Å; M342-L387 HydrophobicContact CG-CD2 3.92Å; M342-L387 HydrophobicContact SD-CD2 3.99Å; M342-L390 HydrophobicContact CE-CD2 4.06Å; M342-L390 HydrophobicContact SD-CD2 3.63Å
343I88.4Confident85.6Confident4 Ų460 Ų602%0.02134%0.342CS..Hα-helixtrans-71.3-35.3-177.9-160.461.5000111.6L339 T340 C346 R347 Y391 F392 L413L339-I343 PolarHBondContact O-N 3.48Å; L339-I343 VanDerWaalsContact O-N 3.08Å; T340-I343 VanDerWaalsContact O-CG2 3.32Å; T340-I343 WeakPolarHBondContact O-CG2 3.39Å; T340-I343 PolarHBondContact O-N 2.85Å; I343-C346 WeakPolarHBondContact O-CB 3.26Å; I343-C346 PolarHBondContact O-N 2.97Å; I343-R347 WeakPolarHBondContact O-CG 3.4Å; I343-R347 PolarHBondContact O-N 2.92Å; I343-Y391 HydrophobicContact CB-CD1 4.35Å; I343-Y391 HydrophobicContact CB-CD2 3.89Å; I343-Y391 HydrophobicContact CB-CE1 4.39Å; I343-Y391 HydrophobicContact CB-CE2 3.93Å; I343-Y391 HydrophobicContact CB-CG 4.12Å; I343-Y391 HydrophobicContact CD1-CD1 3.84Å; I343-Y391 HydrophobicContact CD1-CE1 4.18Å; I343-Y391 HydrophobicContact CD1-CG 4.17Å; I343-Y391 HydrophobicContact CG1-CD1 4.15Å; I343-Y391 HydrophobicContact CG1-CE1 4.08Å; I343-Y391 HydrophobicContact CG1-CE2 4.48Å; I343-Y391 HydrophobicContact CG1-CG 4.4Å; I343-Y391 HydrophobicContact CG2-CD2 4.31Å; I343-Y391 HydrophobicContact CG2-CE2 3.89Å; I343-F392 HydrophobicContact CD1-CE2 4.29Å; I343-F392 HydrophobicContact CD1-CZ 4.39Å; I343-L413 HydrophobicContact CD1-CD2 3.81Å
344D88.6Confident85.6Confident79 Ų7961.1 Ų61.142%0.42235%0.345SS..Hα-helixtrans-65.8-40.6174.7-68.6-18.7000111.6T340 C346 R347 S348T340-D344 WeakPolarHBondContact O-CB 3.39Å; T340-D344 VanDerWaalsContact O-CG 3.24Å; T340-D344 PolarHBondContact O-N 3.2Å; D344-C346 VanDerWaalsContact C-N 3.3Å; D344-C346 PolarHBondContact O-N 3.07Å; D344-R347 PolarHBondContact O-N 3.01Å; D344-S348 WeakPolarHBondContact O-CB 3.24Å; D344-S348 PolarHBondContact O-N 3.1Å; D344-S348 PolarHBondContact O-OG 3.08Å
345R87.9Confident85.5Confident30 Ų3056.9 Ų56.911%0.11333%0.325CS..Hα-helixtrans-57.1-44.5170.5176.2178.3164-177.52111.1K341 M342 S348 Q351 K354 E359 L387K341-R345 WeakPolarHBondContact O-CB 3.38Å; K341-R345 PolarHBondContact O-N 3.07Å; M342-R345 PolarHBondContact O-N 3.45Å; R345-S348 PolarHBondContact O-OG 3.33Å; R345-Q351 HydrophobicContact CG-CB 4.3Å; R345-Q351 PolarHBondContact NH2-O 3.26Å; R345-K354 PolarHBondContact NH2-O 3.47Å; R345-E359 IonicContact CZ-OE2 2.72Å; R345-E359 VanDerWaalsContact CZ-OE2 3.29Å; R345-E359 IonicContact NH1-OE2 3.93Å; R345-E359 PolarHBondContact NH1-OE2 3.45Å; R345-E359 IonicContact NH2-OE2 2.66Å; R345-E359 PolarHBondContact NH2-OE2 3.01Å; R345-L387 HydrophobicContact CG-CD1 4.49Å
346C86.8Confident85.5Confident21 Ų2158.6 Ų58.614%0.14234%0.337CS..Hα-helixtrans-64.9-41.5178.8-65.30000112.3M342 I343 D344 G349 R388M342-C346 PolarHBondContact O-N 2.83Å; M342-C346 VanDerWaalsContact O-N 3.09Å; M342-C346 PolarHBondContact O-SG 3.16Å; I343-C346 WeakPolarHBondContact O-CB 3.26Å; I343-C346 PolarHBondContact O-N 2.97Å; D344-C346 VanDerWaalsContact C-N 3.3Å; D344-C346 PolarHBondContact O-N 3.07Å; C346-G349 PolarHBondContact O-N 2.88Å; C346-R388 HydrophobicContact CB-CG 4.15Å
347R84.4Confident85.5Confident141 Ų14154.1 Ų54.153%0.53232%0.319SS..Hα-helixtrans-68.5-35.5179.8-73.7172.8174.7170.9-3.3113.4I343 D344 G349 L413I343-R347 WeakPolarHBondContact O-CG 3.4Å; I343-R347 PolarHBondContact O-N 2.92Å; D344-R347 PolarHBondContact O-N 3.01Å; R347-G349 PolarHBondContact O-N 3.37Å; R347-L413 HydrophobicContact CG-CD1 4.09Å
348S81.9Confident85.4Confident81 Ų8155.9 Ų55.957%0.56632%0.321SS*.Hα-helixtrans-71.9-15.6179.461.30000114D344 R345 A350D344-S348 WeakPolarHBondContact O-CB 3.24Å; D344-S348 PolarHBondContact O-N 3.1Å; D344-S348 PolarHBondContact O-OG 3.08Å; R345-S348 PolarHBondContact O-OG 3.33Å; S348-A350 PolarHBondContact O-N 3.34Å
349G70.9Confident85.4Confident60 Ų6059.3 Ų59.362%0.61934%0.336SS*.  trans67.9-6.4177.500000115.8C346 R347 Q351C346-G349 PolarHBondContact O-N 2.88Å; R347-G349 PolarHBondContact O-N 3.37Å; G349-Q351 PolarHBondContact O-N 3.16Å
350A61.6Low85.4Confident85 Ų8559.1 Ų59.170%0.70234%0.335SS*.THydrogen-bonded Turntrans-72-25.1-167.800000115S348S348-A350 PolarHBondContact O-N 3.34Å
351Q64.9Low85.5Confident135 Ų13557.3 Ų57.363%0.63132%0.324SS*.THydrogen-bonded Turntrans-133.317.2-172.8-71.7179.4-13.700113.8R345 G349R345-Q351 HydrophobicContact CG-CB 4.3Å; R345-Q351 PolarHBondContact NH2-O 3.26Å; G349-Q351 PolarHBondContact O-N 3.16Å
352G77.9Confident85.6Confident41 Ų4155.7 Ų55.742%0.42333%0.328SS..  trans63.3173.1-176.200000114.2
353S85.4Confident85.5Confident29 Ų2957 Ų5720%0.20334%0.335CS..SBendtrans-86.3-16.6179.266.60000113.9D386 L387 R388S353-D386 PolarHBondContact OG-OD2 3.12Å; S353-L387 WeakPolarHBondContact O-CB 3.25Å; S353-L387 WeakPolarHBondContact O-CG 3.46Å; S353-L387 PolarHBondContact O-N 3.34Å; S353-R388 PolarHBondContact OG-NH2 3.41Å
354K90.8Very high85.6Confident142 Ų14257 Ų5762%0.61734%0.336SS*.EExtended strand (participates in β ladder)trans-88.4133-177.3-71.4-173.3178.4-179.30111R345 V385R345-K354 PolarHBondContact NH2-O 3.47Å; K354-V385 WeakPolarHBondContact CA-O 3.26Å
355A91.3Very high85.6Confident0 Ų057.7 Ų57.70%035%0.346CS..EExtended strand (participates in β ladder)trans-120.6140.217300000111.3E359 T384 V385 L387A355-E359 VanDerWaalsContact CA-OE2 3.28Å; A355-E359 WeakPolarHBondContact CA-OE2 3.31Å; A355-E359 HydrophobicContact CB-CB 4.04Å; A355-T384 CarbonylContact O-C 3.57Å; A355-T384 WeakPolarHBondContact O-CA 3.49Å; A355-T384 WeakPolarHBondContact O-CB 3.5Å; A355-V385 HydrophobicContact CB-CG1 4.44Å; A355-V385 PolarHBondContact N-O 3.42Å; A355-V385 PolarHBondContact O-N 2.88Å; A355-L387 HydrophobicContact CB-CD1 4.16Å; A355-L387 HydrophobicContact CB-CD2 3.68Å; A355-L387 HydrophobicContact CB-CG 3.89Å
356S92.9Very high85.7Confident38 Ų3857 Ų5727%0.26634%0.344SS..EExtended strand (participates in β ladder)trans-76.4167.3168.870.60000111.1D358 E359 L360S356-D358 PolarHBondContact O-N 3.2Å; S356-D358 PolarHBondContact OG-N 3.16Å; S356-E359 PolarHBondContact O-N 3.42Å; S356-E359 PolarHBondContact OG-N 3.01Å; S356-L360 VanDerWaalsContact O-CB 3.32Å; S356-L360 WeakPolarHBondContact O-CB 3.37Å; S356-L360 PolarHBondContact O-N 2.66Å
357A91.8Very high85.7Confident4 Ų465.3 Ų65.33%0.03338%0.379CS..Hα-helixtrans-56.1-32.417200000113T361 A372 V373 E383A357-T361 WeakPolarHBondContact O-CB 3.4Å; A357-T361 PolarHBondContact O-N 3.19Å; A357-T361 PolarHBondContact O-OG1 3.41Å; A357-A372 HydrophobicContact CB-CB 4.32Å; A357-A372 WeakPolarHBondContact O-CB 3.09Å; A357-V373 HydrophobicContact CB-CG2 3.71Å; A357-E383 PolarHBondContact N-O 3.45Å
358D91.4Very high85.8Confident85 Ų8561.9 Ų61.946%0.45537%0.371SS..Hα-helixtrans-70.8-44.4177.8-69.2-47.6000112.2S356 L360 T361 S362 K369S356-D358 PolarHBondContact O-N 3.2Å; S356-D358 PolarHBondContact OG-N 3.16Å; D358-L360 VanDerWaalsContact C-N 3.34Å; D358-T361 PolarHBondContact O-N 2.78Å; D358-S362 PolarHBondContact O-N 3.08Å; D358-S362 VanDerWaalsContact O-N 3.16Å; D358-S362 PolarHBondContact O-OG 3.39Å; D358-K369 WeakPolarHBondContact OD1-CD 3.38Å; D358-K369 WeakPolarHBondContact OD1-CE 3.35Å; D358-K369 IonicContact OD1-NZ 2.78Å; D358-K369 PolarHBondContact OD1-NZ 3.3Å; D358-K369 IonicContact OD2-NZ 3.4Å; D358-K369 PolarHBondContact OD2-NZ 2.82Å
359E91.8Very high86.2Confident78 Ų7862.6 Ų62.636%0.36436%0.363SS..Hα-helixtrans-64-42.3174.2-69.6179-168.500111R345 A355 S356 T361 S362 I363R345-E359 IonicContact CZ-OE2 2.72Å; R345-E359 VanDerWaalsContact CZ-OE2 3.29Å; R345-E359 IonicContact NH1-OE2 3.93Å; R345-E359 PolarHBondContact NH1-OE2 3.45Å; R345-E359 IonicContact NH2-OE2 2.66Å; R345-E359 PolarHBondContact NH2-OE2 3.01Å; A355-E359 VanDerWaalsContact CA-OE2 3.28Å; A355-E359 WeakPolarHBondContact CA-OE2 3.31Å; A355-E359 HydrophobicContact CB-CB 4.04Å; S356-E359 PolarHBondContact O-N 3.42Å; S356-E359 PolarHBondContact OG-N 3.01Å; E359-T361 PolarHBondContact O-N 2.79Å; E359-S362 WeakPolarHBondContact O-CB 3.44Å; E359-S362 PolarHBondContact O-N 2.91Å; E359-S362 VanDerWaalsContact O-N 3.16Å; E359-I363 VanDerWaalsContact O-CG1 3.29Å; E359-I363 WeakPolarHBondContact O-CG1 3.44Å; E359-I363 PolarHBondContact O-N 2.91Å
360L92.8Very high87.1Confident0 Ų065.3 Ų65.30%036%0.36CS..Hα-helixtrans-64.3-40.5179.4-175.263.2000111.8M342 S356 D358 S362 I363 L364 A372 I375 V385 L387 L390M342-L360 HydrophobicContact CE-CD1 3.68Å; S356-L360 VanDerWaalsContact O-CB 3.32Å; S356-L360 WeakPolarHBondContact O-CB 3.37Å; S356-L360 PolarHBondContact O-N 2.66Å; D358-L360 VanDerWaalsContact C-N 3.34Å; L360-S362 VanDerWaalsContact C-N 3.27Å; L360-S362 PolarHBondContact O-N 3.45Å; L360-I363 PolarHBondContact O-N 3.41Å; L360-L364 HydrophobicContact CD1-CD1 3.56Å; L360-L364 HydrophobicContact CD1-CG 4.08Å; L360-L364 HydrophobicContact CD2-CD1 4.4Å; L360-L364 HydrophobicContact CG-CD1 3.74Å; L360-L364 WeakPolarHBondContact O-CB 3.47Å; L360-L364 PolarHBondContact O-N 3.15Å; L360-A372 HydrophobicContact CB-CB 4.37Å; L360-A372 HydrophobicContact CD2-CB 4.27Å; L360-A372 HydrophobicContact CG-CB 4.38Å; L360-I375 HydrophobicContact CD2-CB 4.09Å; L360-I375 HydrophobicContact CD2-CG2 3.84Å; L360-V385 HydrophobicContact CD1-CG1 4.38Å; L360-V385 HydrophobicContact CD2-CG1 4.03Å; L360-L387 HydrophobicContact CD1-CD2 4.46Å; L360-L390 HydrophobicContact CD1-CD1 4.12Å; L360-L390 HydrophobicContact CD2-CD1 4.4Å
361T92.8Very high88.5Confident25 Ų2561.8 Ų61.815%0.15333%0.33CS..Hα-helixtrans-56.5-44172.8-59.50000110.7A357 D358 E359 S365 L366 A372A357-T361 WeakPolarHBondContact O-CB 3.4Å; A357-T361 PolarHBondContact O-N 3.19Å; A357-T361 PolarHBondContact O-OG1 3.41Å; D358-T361 PolarHBondContact O-N 2.78Å; E359-T361 PolarHBondContact O-N 2.79Å; T361-S365 WeakPolarHBondContact O-CA 3.38Å; T361-S365 PolarHBondContact O-N 3.44Å; T361-L366 HydrophobicContact CG2-CB 4.14Å; T361-L366 PolarHBondContact O-N 3.33Å; T361-A372 WeakPolarHBondContact OG1-CB 3.49Å
362S91.6Very high89.8Confident90 Ų9055.3 Ų55.363%0.62930%0.3SS*.Hα-helixtrans-68.9-44.2-179.8-54.60000112.2D358 E359 L360 S365D358-S362 PolarHBondContact O-N 3.08Å; D358-S362 VanDerWaalsContact O-N 3.16Å; D358-S362 PolarHBondContact O-OG 3.39Å; E359-S362 WeakPolarHBondContact O-CB 3.44Å; E359-S362 PolarHBondContact O-N 2.91Å; E359-S362 VanDerWaalsContact O-N 3.16Å; L360-S362 VanDerWaalsContact C-N 3.27Å; L360-S362 PolarHBondContact O-N 3.45Å; S362-S365 PolarHBondContact O-N 3.23Å
363I89.9Confident90.5Very high28 Ų2854.6 Ų54.614%0.14429%0.287CS..Hα-helixtrans-64-44.5-180-67.9164.4000111.1M342 E359 L360 S365 L387M342-I363 HydrophobicContact CE-CB 4.42Å; M342-I363 HydrophobicContact CE-CG2 3.56Å; M342-I363 HydrophobicContact CG-CG2 3.62Å; M342-I363 HydrophobicContact SD-CG2 4.46Å; E359-I363 VanDerWaalsContact O-CG1 3.29Å; E359-I363 WeakPolarHBondContact O-CG1 3.44Å; E359-I363 PolarHBondContact O-N 2.91Å; L360-I363 PolarHBondContact O-N 3.41Å; I363-S365 VanDerWaalsContact C-N 3.32Å; I363-L387 HydrophobicContact CD1-CD1 4.18Å; I363-L387 HydrophobicContact CD1-CD2 4.37Å
364L90.4Very high90.7Very high6 Ų655.5 Ų55.53%0.03129%0.293CS..Hα-helixtrans-84.4-4.5-179-71168.5000113.3L325 A338 M342 L360 L366 I375L325-L364 HydrophobicContact CD1-CD2 4.2Å; L325-L364 HydrophobicContact CD2-CD1 3.82Å; L325-L364 HydrophobicContact CD2-CD2 4.07Å; L325-L364 HydrophobicContact CD2-CG 4.47Å; A338-L364 HydrophobicContact CB-CD2 3.73Å; M342-L364 HydrophobicContact CE-CD1 4.25Å; M342-L364 HydrophobicContact CE-CD2 3.61Å; M342-L364 HydrophobicContact CE-CG 3.66Å; L360-L364 HydrophobicContact CD1-CD1 3.56Å; L360-L364 HydrophobicContact CD1-CG 4.08Å; L360-L364 HydrophobicContact CD2-CD1 4.4Å; L360-L364 HydrophobicContact CG-CD1 3.74Å; L360-L364 WeakPolarHBondContact O-CB 3.47Å; L360-L364 PolarHBondContact O-N 3.15Å; L364-L366 HydrophobicContact CB-CD1 4.05Å; L364-L366 HydrophobicContact CB-CD2 4.21Å; L364-L366 HydrophobicContact CB-CG 3.66Å; L364-L366 HydrophobicContact CD1-CD1 3.88Å; L364-L366 HydrophobicContact CD1-CG 4.35Å; L364-L366 PolarHBondContact O-N 3.34Å; L364-I375 HydrophobicContact CD1-CD1 4.26Å
365S89.1Confident90.8Very high93 Ų9348.7 Ų48.765%0.6526%0.264SS*.THydrogen-bonded Turntrans52.540.5-175.2-54.70000112.9T361 S362 I363T361-S365 WeakPolarHBondContact O-CA 3.38Å; T361-S365 PolarHBondContact O-N 3.44Å; S362-S365 PolarHBondContact O-N 3.23Å; I363-S365 VanDerWaalsContact C-N 3.32Å
366L89.1Confident90.8Very high14 Ų1448.7 Ų48.77%0.07326%0.264CS..  trans-72.4140.7-177.9-66.2171.5000111L325 N328 L330 T361 L364 D368 T371 A372L325-L366 HydrophobicContact CD2-CD2 4.02Å; N328-L366 HydrophobicContact CB-CD2 4.49Å; L330-L366 HydrophobicContact CD1-CD2 3.94Å; L330-L366 HydrophobicContact CD2-CD2 4.4Å; T361-L366 HydrophobicContact CG2-CB 4.14Å; T361-L366 PolarHBondContact O-N 3.33Å; L364-L366 HydrophobicContact CB-CD1 4.05Å; L364-L366 HydrophobicContact CB-CD2 4.21Å; L364-L366 HydrophobicContact CB-CG 3.66Å; L364-L366 HydrophobicContact CD1-CD1 3.88Å; L364-L366 HydrophobicContact CD1-CG 4.35Å; L364-L366 PolarHBondContact O-N 3.34Å; L366-D368 VanDerWaalsContact C-N 3.27Å; L366-D368 PolarHBondContact O-N 3.18Å; L366-T371 HydrophobicContact CD1-CG2 4.01Å; L366-T371 HydrophobicContact CD2-CG2 4.2Å; L366-A372 HydrophobicContact CD1-CB 3.91Å
367K86.9Confident90.5Very high197 Ų19748.8 Ų48.886%0.85727%0.27SS*.SBendtrans-73.3-21.6175.4-62.8179.3-176.4172.30112.9
368D86.5Confident90.3Very high68 Ų6850.9 Ų50.936%0.36428%0.281SS..  trans-135.2127.8-173.7161.952000110.9L366 Q370 T371L366-D368 VanDerWaalsContact C-N 3.27Å; L366-D368 PolarHBondContact O-N 3.18Å; D368-Q370 VanDerWaalsContact C-N 3.28Å; D368-Q370 VanDerWaalsContact CG-N 3.3Å; D368-Q370 PolarHBondContact O-N 3.41Å; D368-Q370 WeakPolarHBondContact OD1-CB 3.19Å; D368-Q370 PolarHBondContact OD1-N 2.91Å; D368-Q370 VanDerWaalsContact OD2-CB 3.25Å; D368-Q370 WeakPolarHBondContact OD2-CB 3.17Å; D368-Q370 PolarHBondContact OD2-N 3.2Å; D368-T371 PolarHBondContact O-N 3.4Å; D368-T371 PolarHBondContact OD2-N 3.23Å; D368-T371 PolarHBondContact OD2-OG1 3.46Å
369K89.5Confident90.2Very high96 Ų9648 Ų4842%0.41726%0.264SS..Hα-helixtrans-66-29.4176.4179173.7175.7165.40111.9D358 T371 A372 V373D358-K369 WeakPolarHBondContact OD1-CD 3.38Å; D358-K369 WeakPolarHBondContact OD1-CE 3.35Å; D358-K369 IonicContact OD1-NZ 2.78Å; D358-K369 PolarHBondContact OD1-NZ 3.3Å; D358-K369 IonicContact OD2-NZ 3.4Å; D358-K369 PolarHBondContact OD2-NZ 2.82Å; K369-T371 PolarHBondContact O-N 3.44Å; K369-A372 WeakPolarHBondContact O-CB 3.28Å; K369-A372 PolarHBondContact O-N 3Å; K369-V373 HydrophobicContact CG-CG2 4.2Å; K369-V373 WeakPolarHBondContact O-CG2 3.11Å; K369-V373 PolarHBondContact O-N 3.27Å
370Q90.9Very high89.8Confident117 Ų11745.8 Ų45.855%0.54726%0.257SS..Hα-helixtrans-64-32.4-177.6-171.461.536.300111.9D368 V373 S374D368-Q370 VanDerWaalsContact C-N 3.28Å; D368-Q370 VanDerWaalsContact CG-N 3.3Å; D368-Q370 PolarHBondContact O-N 3.41Å; D368-Q370 WeakPolarHBondContact OD1-CB 3.19Å; D368-Q370 PolarHBondContact OD1-N 2.91Å; D368-Q370 VanDerWaalsContact OD2-CB 3.25Å; D368-Q370 WeakPolarHBondContact OD2-CB 3.17Å; D368-Q370 PolarHBondContact OD2-N 3.2Å; Q370-V373 PolarHBondContact O-N 2.93Å; Q370-S374 WeakPolarHBondContact O-CB 2.94Å; Q370-S374 PolarHBondContact O-N 2.92Å; Q370-S374 PolarHBondContact O-OG 3.01Å
371T91.5Very high88.9Confident11 Ų1152.9 Ų52.97%0.06729%0.288CS..Hα-helixtrans-61.8-45.6170.9-62.90000111.7L324 N328 L366 D368 K369 S374 I375L324-T371 HydrophobicContact CB-CG2 4.42Å; N328-T371 VanDerWaalsContact ND2-CG2 3.29Å; N328-T371 WeakPolarHBondContact ND2-CG2 3.15Å; N328-T371 PolarHBondContact ND2-OG1 3.22Å; N328-T371 PolarHBondContact OD1-OG1 2.69Å; L366-T371 HydrophobicContact CD1-CG2 4.01Å; L366-T371 HydrophobicContact CD2-CG2 4.2Å; D368-T371 PolarHBondContact O-N 3.4Å; D368-T371 PolarHBondContact OD2-N 3.23Å; D368-T371 PolarHBondContact OD2-OG1 3.46Å; K369-T371 PolarHBondContact O-N 3.44Å; T371-S374 WeakPolarHBondContact O-CB 3.21Å; T371-S374 PolarHBondContact O-N 3.32Å; T371-I375 HydrophobicContact CG2-CD1 4.05Å; T371-I375 WeakPolarHBondContact O-CG1 3.43Å; T371-I375 PolarHBondContact O-N 2.92Å
372A91.9Very high88.2Confident0 Ų058 Ų580%031%0.314CS..Hα-helixtrans-64-43.1177.300000112.2A357 L360 T361 L366 K369 S374 I375 C376A357-A372 HydrophobicContact CB-CB 4.32Å; A357-A372 WeakPolarHBondContact O-CB 3.09Å; L360-A372 HydrophobicContact CB-CB 4.37Å; L360-A372 HydrophobicContact CD2-CB 4.27Å; L360-A372 HydrophobicContact CG-CB 4.38Å; T361-A372 WeakPolarHBondContact OG1-CB 3.49Å; L366-A372 HydrophobicContact CD1-CB 3.91Å; K369-A372 WeakPolarHBondContact O-CB 3.28Å; K369-A372 PolarHBondContact O-N 3Å; A372-S374 VanDerWaalsContact C-N 3.28Å; A372-S374 PolarHBondContact O-N 3.36Å; A372-I375 PolarHBondContact O-N 3.44Å; A372-C376 PolarHBondContact O-N 3.07Å; A372-C376 PolarHBondContact O-SG 2.97Å; A372-C376 VanDerWaalsContact O-SG 3.41Å
373V91.3Very high87.6Confident25 Ų2559 Ų5915%0.15231%0.309CS..Hα-helixtrans-58.7-42.9174.3173.10000110.8A357 K369 Q370 C376 G377A357-V373 HydrophobicContact CB-CG2 3.71Å; K369-V373 HydrophobicContact CG-CG2 4.2Å; K369-V373 WeakPolarHBondContact O-CG2 3.11Å; K369-V373 PolarHBondContact O-N 3.27Å; Q370-V373 PolarHBondContact O-N 2.93Å; V373-C376 PolarHBondContact O-N 3.13Å; V373-G377 PolarHBondContact O-N 2.94Å
374S90.4Very high87.5Confident48 Ų4859.6 Ų59.634%0.33631%0.314SS..Hα-helixtrans-62.8-43.4177.7-580000111.5Q370 T371 A372 G377 L378Q370-S374 WeakPolarHBondContact O-CB 2.94Å; Q370-S374 PolarHBondContact O-N 2.92Å; Q370-S374 PolarHBondContact O-OG 3.01Å; T371-S374 WeakPolarHBondContact O-CB 3.21Å; T371-S374 PolarHBondContact O-N 3.32Å; A372-S374 VanDerWaalsContact C-N 3.28Å; A372-S374 PolarHBondContact O-N 3.36Å; S374-G377 PolarHBondContact O-N 3.24Å; S374-L378 WeakPolarHBondContact O-CG 3.49Å; S374-L378 PolarHBondContact O-N 2.72Å
375I92.2Very high87.5Confident0 Ų059.4 Ų59.40%031%0.313CS..Hα-helixtrans-63.8-49.6176.1-67.6165.8000110.6T321 L324 L325 L360 L364 T371 A372 G377 L378 Y379 L390T321-I375 HydrophobicContact CG2-CD1 4.18Å; T321-I375 HydrophobicContact CG2-CG1 4.23Å; T321-I375 HydrophobicContact CG2-CG2 3.96Å; L324-I375 HydrophobicContact CD1-CG1 3.93Å; L325-I375 HydrophobicContact CD2-CD1 3.77Å; L325-I375 HydrophobicContact CG-CD1 4.42Å; L360-I375 HydrophobicContact CD2-CB 4.09Å; L360-I375 HydrophobicContact CD2-CG2 3.84Å; L364-I375 HydrophobicContact CD1-CD1 4.26Å; T371-I375 HydrophobicContact CG2-CD1 4.05Å; T371-I375 WeakPolarHBondContact O-CG1 3.43Å; T371-I375 PolarHBondContact O-N 2.92Å; A372-I375 PolarHBondContact O-N 3.44Å; I375-G377 PolarHBondContact O-N 2.88Å; I375-L378 WeakPolarHBondContact O-CB 3.28Å; I375-L378 PolarHBondContact O-N 2.97Å; I375-Y379 HydrophobicContact CG2-CE2 4.2Å; I375-Y379 WeakPolarHBondContact O-CD2 3.18Å; I375-L390 HydrophobicContact CG2-CD1 3.54Å
376C91.4Very high87.6Confident0 Ų056 Ų560%029%0.287CS..Hα-helixtrans-55.8-40.1176.6-71.20000112A372 V373 L378 Y379 S380 E383A372-C376 PolarHBondContact O-N 3.07Å; A372-C376 PolarHBondContact O-SG 2.97Å; A372-C376 VanDerWaalsContact O-SG 3.41Å; V373-C376 PolarHBondContact O-N 3.13Å; C376-L378 PolarHBondContact O-N 3.38Å; C376-Y379 PolarHBondContact O-N 2.78Å; C376-Y379 VanDerWaalsContact O-N 3.14Å; C376-S380 PolarHBondContact O-N 3.17Å; C376-E383 WeakPolarHBondContact CB-O 3.22Å; C376-E383 PolarHBondContact SG-O 3.3Å
377G88.1Confident87.8Confident39 Ų3955.3 Ų55.340%0.40228%0.283SS..Hα-helixtrans-64-19.3178.400000115V373 S374 I375V373-G377 PolarHBondContact O-N 2.94Å; S374-G377 PolarHBondContact O-N 3.24Å; I375-G377 PolarHBondContact O-N 2.88Å
378L87.7Confident88Confident49 Ų4948.8 Ų48.826%0.25725%0.254SS..Hα-helixtrans-72.8-34.9173.8-60.9172.6000111.9P317 V320 S374 I375 C376P317-L378 HydrophobicContact CB-CB 4.23Å; V320-L378 HydrophobicContact CB-CD1 3.86Å; V320-L378 HydrophobicContact CB-CD2 4.47Å; V320-L378 HydrophobicContact CG1-CD1 3.75Å; V320-L378 HydrophobicContact CG1-CD2 4.06Å; S374-L378 WeakPolarHBondContact O-CG 3.49Å; S374-L378 PolarHBondContact O-N 2.72Å; I375-L378 WeakPolarHBondContact O-CB 3.28Å; I375-L378 PolarHBondContact O-N 2.97Å; C376-L378 PolarHBondContact O-N 3.38Å
379Y88.1Confident88.2Confident24 Ų2447.5 Ų47.59%0.09425%0.245CC..Hα-helixtrans-100.6-34.2-173.7-63-87.6000113.1P317 G318 T321 I375 C376 V385 Q389 L390 S393 G436P317-Y379 HydrophobicContact CB-CD1 4.19Å; P317-Y379 HydrophobicContact CB-CE1 3.65Å; P317-Y379 HydrophobicContact CB-CE2 4.23Å; G318-Y379 PolarHBondContact N-OH 3Å; T321-Y379 PolarHBondContact OG1-OH 2.56Å; I375-Y379 HydrophobicContact CG2-CE2 4.2Å; I375-Y379 WeakPolarHBondContact O-CD2 3.18Å; C376-Y379 PolarHBondContact O-N 2.78Å; C376-Y379 VanDerWaalsContact O-N 3.14Å; Y379-V385 HydrophobicContact CD1-CG2 4.48Å; Y379-V385 HydrophobicContact CD2-CG2 3.6Å; Y379-V385 HydrophobicContact CE2-CG2 4.3Å; Y379-V385 HydrophobicContact CG-CG2 3.72Å; Y379-Q389 HydrophobicContact CD1-CB 4.16Å; Y379-Q389 HydrophobicContact CE1-CB 4.4Å; Y379-L390 HydrophobicContact CE2-CB 4.4Å; Y379-L390 HydrophobicContact CE2-CD1 4.22Å; Y379-L390 HydrophobicContact CE2-CG 4.23Å; Y379-S393 PolarHBondContact OH-OG 3.15Å; Y379-G436 WeakPolarHBondContact CD1-O 3.4Å
380S83.8Confident88.4Confident31 Ų3143 Ų4322%0.21723%0.226CC..  trans-139.4174.1-176.898.90000114.4R301 C376 D382 T384R301-S380 PolarHBondContact NH2-O 2.93Å; R301-S380 VanDerWaalsContact NH2-O 3.14Å; C376-S380 PolarHBondContact O-N 3.17Å; S380-D382 PolarHBondContact OG-N 3.23Å; S380-T384 WeakPolarHBondContact CB-O 3.43Å; S380-T384 PolarHBondContact OG-N 3.46Å; S380-T384 PolarHBondContact OG-O 2.97Å
381K73.8Confident88.5Confident150 Ų15038.5 Ų38.565%0.65220%0.204SC*.SBendtrans-91-24.7174.9-71.5-179-177.1170.70113.5E383K381-E383 VanDerWaalsContact C-N 3.33Å; K381-E383 PolarHBondContact O-N 2.88Å
382D77.8Confident88.7Confident131 Ų13138 Ų3870%0.70120%0.201SC*.SBendtrans-100.927.3-163.5-53.5-31000111.5S380 T384S380-D382 PolarHBondContact OG-N 3.23Å; D382-T384 PolarHBondContact O-N 3.49Å
383E78.3Confident88.8Confident113 Ų11338.1 Ų38.153%0.52820%0.201SC..SBendtrans52.422.3-176-59.5-176.2-178.400114.4A357 C376 K381A357-E383 PolarHBondContact N-O 3.45Å; C376-E383 WeakPolarHBondContact CB-O 3.22Å; C376-E383 PolarHBondContact SG-O 3.3Å; K381-E383 VanDerWaalsContact C-N 3.33Å; K381-E383 PolarHBondContact O-N 2.88Å
384T88.8Confident88.9Confident40 Ų4036.9 Ų36.925%0.24519%0.194CC..EExtended strand (participates in β ladder)trans-112.4161.3173.955.50000110.6A355 S380 D382A355-T384 CarbonylContact O-C 3.57Å; A355-T384 WeakPolarHBondContact O-CA 3.49Å; A355-T384 WeakPolarHBondContact O-CB 3.5Å; S380-T384 WeakPolarHBondContact CB-O 3.43Å; S380-T384 PolarHBondContact OG-N 3.46Å; S380-T384 PolarHBondContact OG-O 2.97Å; D382-T384 PolarHBondContact O-N 3.49Å
385V90.7Very high89Confident1 Ų134.7 Ų34.71%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-136.4141.8173.863.20000110.1K354 A355 L360 Y379 L387 L390K354-V385 WeakPolarHBondContact CA-O 3.26Å; A355-V385 HydrophobicContact CB-CG1 4.44Å; A355-V385 PolarHBondContact N-O 3.42Å; A355-V385 PolarHBondContact O-N 2.88Å; L360-V385 HydrophobicContact CD1-CG1 4.38Å; L360-V385 HydrophobicContact CD2-CG1 4.03Å; Y379-V385 HydrophobicContact CD1-CG2 4.48Å; Y379-V385 HydrophobicContact CD2-CG2 3.6Å; Y379-V385 HydrophobicContact CE2-CG2 4.3Å; Y379-V385 HydrophobicContact CG-CG2 3.72Å; V385-L387 HydrophobicContact CG1-CD2 4.35Å; V385-L387 PolarHBondContact O-N 3.02Å; V385-L390 HydrophobicContact CG1-CD1 4.28Å; V385-L390 HydrophobicContact CG2-CB 3.96Å; V385-L390 HydrophobicContact CG2-CD1 4.05Å
386D91.4Very high88.9Confident21 Ų2135 Ų3511%0.11218%0.181CC..EExtended strand (participates in β ladder)trans-77.7115.2165.2-167.7-51.5000108.3S353 R388 Q389 L390S353-D386 PolarHBondContact OG-OD2 3.12Å; D386-R388 PolarHBondContact O-N 2.81Å; D386-R388 VanDerWaalsContact O-N 3.16Å; D386-R388 WeakPolarHBondContact OD1-CB 3.48Å; D386-R388 WeakPolarHBondContact OD1-CG 3.34Å; D386-R388 IonicContact OD1-CZ 3.8Å; D386-R388 PolarHBondContact OD1-N 2.99Å; D386-R388 IonicContact OD1-NE 2.86Å; D386-R388 PolarHBondContact OD1-NE 3.32Å; D386-R388 IonicContact OD1-NH2 3.09Å; D386-R388 IonicContact OD2-CZ 3.97Å; D386-R388 IonicContact OD2-NE 2.9Å; D386-R388 PolarHBondContact OD2-NE 2.86Å; D386-R388 IonicContact OD2-NH2 3.06Å; D386-R388 PolarHBondContact OD2-NH2 3.5Å; D386-Q389 HydrophobicContact CB-CB 4.33Å; D386-Q389 HydrophobicContact CB-CG 4.06Å; D386-Q389 WeakPolarHBondContact O-CB 3.4Å; D386-Q389 PolarHBondContact O-N 3.31Å; D386-L390 PolarHBondContact O-N 2.86Å; D386-L390 VanDerWaalsContact O-N 3.08Å
387L92.2Very high88.7Confident0 Ų035.9 Ų35.90%019%0.186CC..Hα-helixtrans-59.3-26.7-177.4-67.9-178.2000112.5M342 R345 S353 A355 L360 I363 V385 Y391M342-L387 HydrophobicContact CB-CB 4.24Å; M342-L387 HydrophobicContact CB-CD1 4.41Å; M342-L387 HydrophobicContact CB-CD2 4.41Å; M342-L387 HydrophobicContact CG-CD1 4.46Å; M342-L387 HydrophobicContact CG-CD2 3.92Å; M342-L387 HydrophobicContact SD-CD2 3.99Å; R345-L387 HydrophobicContact CG-CD1 4.49Å; S353-L387 WeakPolarHBondContact O-CB 3.25Å; S353-L387 WeakPolarHBondContact O-CG 3.46Å; S353-L387 PolarHBondContact O-N 3.34Å; A355-L387 HydrophobicContact CB-CD1 4.16Å; A355-L387 HydrophobicContact CB-CD2 3.68Å; A355-L387 HydrophobicContact CB-CG 3.89Å; L360-L387 HydrophobicContact CD1-CD2 4.46Å; I363-L387 HydrophobicContact CD1-CD1 4.18Å; I363-L387 HydrophobicContact CD1-CD2 4.37Å; V385-L387 HydrophobicContact CG1-CD2 4.35Å; V385-L387 PolarHBondContact O-N 3.02Å; L387-Y391 WeakPolarHBondContact O-CB 3.31Å; L387-Y391 PolarHBondContact O-N 3.28Å
388R91.6Very high88.7Confident61 Ų6134.5 Ų34.523%0.2317%0.17CC..Hα-helixtrans-68-45.8174.7-54.5171.9-71176.70.5110.3C346 S353 D386 Y391 F392 L413 F414C346-R388 HydrophobicContact CB-CG 4.15Å; S353-R388 PolarHBondContact OG-NH2 3.41Å; D386-R388 PolarHBondContact O-N 2.81Å; D386-R388 VanDerWaalsContact O-N 3.16Å; D386-R388 WeakPolarHBondContact OD1-CB 3.48Å; D386-R388 WeakPolarHBondContact OD1-CG 3.34Å; D386-R388 IonicContact OD1-CZ 3.8Å; D386-R388 PolarHBondContact OD1-N 2.99Å; D386-R388 IonicContact OD1-NE 2.86Å; D386-R388 PolarHBondContact OD1-NE 3.32Å; D386-R388 IonicContact OD1-NH2 3.09Å; D386-R388 IonicContact OD2-CZ 3.97Å; D386-R388 IonicContact OD2-NE 2.9Å; D386-R388 PolarHBondContact OD2-NE 2.86Å; D386-R388 IonicContact OD2-NH2 3.06Å; D386-R388 PolarHBondContact OD2-NH2 3.5Å; R388-Y391 PolarHBondContact O-N 2.85Å; R388-F392 HydrophobicContact CB-CD2 4.45Å; R388-F392 WeakPolarHBondContact O-CD2 3.42Å; R388-F392 PolarHBondContact O-N 3.11Å; R388-L413 HydrophobicContact CB-CD2 4.25Å; R388-L413 HydrophobicContact CG-CD2 3.81Å; R388-F414 HydrophobicContact CB-CZ 4.5Å
389Q91.6Very high88.5Confident41 Ų4139 Ų3919%0.19219%0.194CC..Hα-helixtrans-62.6-44.2177.7-67.6-175.2-15.100111.5Y379 D386 S393 A433Y379-Q389 HydrophobicContact CD1-CB 4.16Å; Y379-Q389 HydrophobicContact CE1-CB 4.4Å; D386-Q389 HydrophobicContact CB-CB 4.33Å; D386-Q389 HydrophobicContact CB-CG 4.06Å; D386-Q389 WeakPolarHBondContact O-CB 3.4Å; D386-Q389 PolarHBondContact O-N 3.31Å; Q389-S393 VanDerWaalsContact O-CB 3.29Å; Q389-S393 WeakPolarHBondContact O-CB 3.4Å; Q389-S393 PolarHBondContact O-N 3.47Å; Q389-S393 VanDerWaalsContact O-N 3.1Å; Q389-S393 PolarHBondContact O-OG 3.26Å; Q389-A433 HydrophobicContact CG-CB 4.41Å
390L92.8Very high88.2Confident0 Ų039.6 Ų39.60%020%0.198CC..Hα-helixtrans-64-47.2176.5-169.1154.4000110.9T321 L339 M342 L360 I375 Y379 V385 D386 V394T321-L390 HydrophobicContact CG2-CG 4.49Å; L339-L390 HydrophobicContact CD2-CD2 3.82Å; M342-L390 HydrophobicContact CE-CD2 4.06Å; M342-L390 HydrophobicContact SD-CD2 3.63Å; L360-L390 HydrophobicContact CD1-CD1 4.12Å; L360-L390 HydrophobicContact CD2-CD1 4.4Å; I375-L390 HydrophobicContact CG2-CD1 3.54Å; Y379-L390 HydrophobicContact CE2-CB 4.4Å; Y379-L390 HydrophobicContact CE2-CD1 4.22Å; Y379-L390 HydrophobicContact CE2-CG 4.23Å; V385-L390 HydrophobicContact CG1-CD1 4.28Å; V385-L390 HydrophobicContact CG2-CB 3.96Å; V385-L390 HydrophobicContact CG2-CD1 4.05Å; D386-L390 PolarHBondContact O-N 2.86Å; D386-L390 VanDerWaalsContact O-N 3.08Å; L390-V394 HydrophobicContact CD2-CG2 4.13Å; L390-V394 HydrophobicContact CG-CG2 4.36Å; L390-V394 WeakPolarHBondContact O-CB 3.49Å; L390-V394 WeakPolarHBondContact O-CG2 3.41Å; L390-V394 PolarHBondContact O-N 3.24Å; L390-V394 VanDerWaalsContact O-N 3.07Å
391Y93.9Very high88.1Confident24 Ų2440.1 Ų40.19%0.09420%0.199CC..Hα-helixtrans-56.5-55178.9173.1-95.1000112.4L339 I343 L387 R388 S395 L406L339-Y391 HydrophobicContact CB-CD2 3.76Å; L339-Y391 HydrophobicContact CB-CE2 4.01Å; L339-Y391 HydrophobicContact CD2-CD2 4.28Å; L339-Y391 VanDerWaalsContact O-CD2 3.26Å; L339-Y391 WeakPolarHBondContact O-CD2 3.33Å; I343-Y391 HydrophobicContact CB-CD1 4.35Å; I343-Y391 HydrophobicContact CB-CD2 3.89Å; I343-Y391 HydrophobicContact CB-CE1 4.39Å; I343-Y391 HydrophobicContact CB-CE2 3.93Å; I343-Y391 HydrophobicContact CB-CG 4.12Å; I343-Y391 HydrophobicContact CD1-CD1 3.84Å; I343-Y391 HydrophobicContact CD1-CE1 4.18Å; I343-Y391 HydrophobicContact CD1-CG 4.17Å; I343-Y391 HydrophobicContact CG1-CD1 4.15Å; I343-Y391 HydrophobicContact CG1-CE1 4.08Å; I343-Y391 HydrophobicContact CG1-CE2 4.48Å; I343-Y391 HydrophobicContact CG1-CG 4.4Å; I343-Y391 HydrophobicContact CG2-CD2 4.31Å; I343-Y391 HydrophobicContact CG2-CE2 3.89Å; L387-Y391 WeakPolarHBondContact O-CB 3.31Å; L387-Y391 PolarHBondContact O-N 3.28Å; R388-Y391 PolarHBondContact O-N 2.85Å; Y391-S395 WeakPolarHBondContact O-CB 3.46Å; Y391-S395 PolarHBondContact O-N 3.33Å; Y391-S395 PolarHBondContact O-OG 3.42Å; Y391-L406 HydrophobicContact CE1-CD1 4.43Å
392F94.1Very high88.7Confident0 Ų038.1 Ų38.10%020%0.196CC..Hα-helixtrans-69.6-44.7-173.8-77.5-65.2000112.4I343 R388 V394 S395 A396 L406 A410 L413 F414 A433 L434I343-F392 HydrophobicContact CD1-CE2 4.29Å; I343-F392 HydrophobicContact CD1-CZ 4.39Å; R388-F392 HydrophobicContact CB-CD2 4.45Å; R388-F392 WeakPolarHBondContact O-CD2 3.42Å; R388-F392 PolarHBondContact O-N 3.11Å; F392-V394 PolarHBondContact O-N 2.98Å; F392-S395 PolarHBondContact O-N 3.2Å; F392-A396 VanDerWaalsContact O-CB 3.28Å; F392-A396 WeakPolarHBondContact O-CB 3.37Å; F392-A396 PolarHBondContact O-N 3.48Å; F392-L406 HydrophobicContact CD1-CD1 3.66Å; F392-L406 HydrophobicContact CD1-CG 4.19Å; F392-L406 HydrophobicContact CE1-CD1 4.07Å; F392-A410 HydrophobicContact CD1-CB 3.88Å; F392-A410 VanDerWaalsContact CE1-CA 3.47Å; F392-A410 HydrophobicContact CE1-CB 3.49Å; F392-A410 VanDerWaalsContact CE1-CB 3.49Å; F392-A410 HydrophobicContact CE2-CB 4.41Å; F392-A410 HydrophobicContact CZ-CB 3.82Å; F392-L413 HydrophobicContact CE2-CD2 3.54Å; F392-L413 HydrophobicContact CZ-CB 4.42Å; F392-L413 HydrophobicContact CZ-CD2 4.04Å; F392-F414 HydrophobicContact CD2-CE2 4.24Å; F392-F414 HydrophobicContact CE2-CE2 4.03Å; F392-A433 HydrophobicContact CB-CB 4.12Å; F392-A433 WeakPolarHBondContact CB-O 3.41Å; F392-A433 HydrophobicContact CD2-CB 3.92Å; F392-A433 HydrophobicContact CG-CB 4.36Å; F392-L434 HydrophobicContact CB-CD2 4.25Å; F392-L434 HydrophobicContact CD1-CD2 4.32Å
393S93.8Very high89.3Confident2 Ų233.2 Ų33.21%0.01417%0.168CC..Hα-helixtrans-68.9-32.9-179.264.50000113.5Y379 Q389 A433 L434Y379-S393 PolarHBondContact OH-OG 3.15Å; Q389-S393 VanDerWaalsContact O-CB 3.29Å; Q389-S393 WeakPolarHBondContact O-CB 3.4Å; Q389-S393 PolarHBondContact O-N 3.47Å; Q389-S393 VanDerWaalsContact O-N 3.1Å; Q389-S393 PolarHBondContact O-OG 3.26Å; S393-A433 PolarHBondContact N-O 3.21Å; S393-A433 VanDerWaalsContact N-O 3.14Å; S393-L434 WeakPolarHBondContact CA-O 3.28Å
394V93.4Very high89.9Confident0 Ų034 Ų340%017%0.17CC..Hα-helixtrans-72.1-44.8172.1171.90000110.4T321 L322 L339 L390 F392 A396 L397 S398T321-V394 HydrophobicContact CG2-CG2 3.76Å; L322-V394 HydrophobicContact CD1-CG1 4.38Å; L322-V394 HydrophobicContact CD2-CG1 3.55Å; L322-V394 HydrophobicContact CG-CG1 3.81Å; L339-V394 HydrophobicContact CD1-CB 4.39Å; L339-V394 HydrophobicContact CD1-CG1 3.68Å; L339-V394 HydrophobicContact CD2-CB 4.25Å; L339-V394 HydrophobicContact CD2-CG1 4.16Å; L339-V394 HydrophobicContact CG-CG1 4.46Å; L390-V394 HydrophobicContact CD2-CG2 4.13Å; L390-V394 HydrophobicContact CG-CG2 4.36Å; L390-V394 WeakPolarHBondContact O-CB 3.49Å; L390-V394 WeakPolarHBondContact O-CG2 3.41Å; L390-V394 PolarHBondContact O-N 3.24Å; L390-V394 VanDerWaalsContact O-N 3.07Å; F392-V394 PolarHBondContact O-N 2.98Å; V394-A396 VanDerWaalsContact C-N 3.33Å; V394-A396 PolarHBondContact O-N 3.32Å; V394-L397 PolarHBondContact O-N 3.14Å; V394-S398 WeakPolarHBondContact O-CB 3.34Å; V394-S398 PolarHBondContact O-N 2.89Å; V394-S398 PolarHBondContact O-OG 2.97Å
395S92.6Very high90Very high2 Ų233.9 Ų33.91%0.01417%0.173CC..Hα-helixtrans-63.8-37.8-179.1-61.60000112.2Y391 F392 L397 S398Y391-S395 WeakPolarHBondContact O-CB 3.46Å; Y391-S395 PolarHBondContact O-N 3.33Å; Y391-S395 PolarHBondContact O-OG 3.42Å; F392-S395 PolarHBondContact O-N 3.2Å; S395-L397 PolarHBondContact O-N 2.78Å; S395-S398 VanDerWaalsContact CA-OG 3.31Å; S395-S398 WeakPolarHBondContact CA-OG 3.32Å; S395-S398 PolarHBondContact O-N 3Å; S395-S398 PolarHBondContact O-OG 2.75Å
396A90.3Very high90.1Very high6 Ų633.9 Ų33.95%0.0517%0.173CC..THydrogen-bonded Turntrans-60.9-25.3177.100000113.5F392 V394 L406 L478 Q479F392-A396 VanDerWaalsContact O-CB 3.28Å; F392-A396 WeakPolarHBondContact O-CB 3.37Å; F392-A396 PolarHBondContact O-N 3.48Å; V394-A396 VanDerWaalsContact C-N 3.33Å; V394-A396 PolarHBondContact O-N 3.32Å; A396-L406 HydrophobicContact CB-CD2 3.63Å; A396-L478 HydrophobicContact CB-CB 4.47Å; A396-L478 HydrophobicContact CB-CD2 3.92Å; A396-L478 CarbonylContact O-C 3.59Å; A396-L478 VanDerWaalsContact O-O 3.11Å; A396-Q479 PolarHBondContact O-N 3.24Å
397L88.8Confident90.2Very high19 Ų1932.9 Ų32.910%0.09917%0.168CC..THydrogen-bonded Turntrans-10915.3-176.4-64.7171.5000112.3P316 R319 L322 V394 S395 Y477P316-L397 HydrophobicContact CB-CD1 3.88Å; R319-L397 HydrophobicContact CB-CD1 3.9Å; R319-L397 VanDerWaalsContact N-CD1 3.33Å; L322-L397 HydrophobicContact CD1-CB 4.01Å; L322-L397 WeakPolarHBondContact CD1-O 3.43Å; V394-L397 PolarHBondContact O-N 3.14Å; S395-L397 PolarHBondContact O-N 2.78Å; L397-Y477 WeakPolarHBondContact CD2-O 3.3Å
398S86.5Confident90.3Very high9 Ų937.2 Ų37.26%0.06319%0.187CC..SBendtrans-128.4154-177.571.40000110.6V394 S395 F400V394-S398 WeakPolarHBondContact O-CB 3.34Å; V394-S398 PolarHBondContact O-N 2.89Å; V394-S398 PolarHBondContact O-OG 2.97Å; S395-S398 VanDerWaalsContact CA-OG 3.31Å; S395-S398 WeakPolarHBondContact CA-OG 3.32Å; S395-S398 PolarHBondContact O-N 3Å; S395-S398 PolarHBondContact O-OG 2.75Å; S398-F400 VanDerWaalsContact CB-CD2 3.47Å; S398-F400 PolarHBondContact O-N 3.08Å; S398-F400 WeakPolarHBondContact OG-CD2 3.47Å; S398-F400 WeakPolarHBondContact OG-CG 3.2Å
399D83.8Confident90.3Very high144 Ų14435.6 Ų35.677%0.7719%0.185SC*.THydrogen-bonded Turntrans-77.313.8175.6-54.7-47.2000113.3T401 A480D399-T401 PolarHBondContact O-N 3.26Å; D399-A480 WeakPolarHBondContact OD1-CB 3.26Å
400F82.2Confident90.4Very high37 Ų3733.6 Ų33.616%0.16218%0.176CC..THydrogen-bonded Turntrans-72.2-30.9-174.1-58-29.8000113.2A332 I335 K336 L339 S398A332-F400 HydrophobicContact CB-CE1 4Å; A332-F400 HydrophobicContact CB-CZ 4.42Å; A332-F400 WeakPolarHBondContact O-CE1 3.36Å; A332-F400 WeakPolarHBondContact O-CZ 3.34Å; I335-F400 HydrophobicContact CB-CE2 4.3Å; I335-F400 HydrophobicContact CB-CZ 4.16Å; I335-F400 HydrophobicContact CG2-CE2 3.76Å; I335-F400 HydrophobicContact CG2-CZ 4.07Å; K336-F400 HydrophobicContact CB-CD1 4.21Å; K336-F400 HydrophobicContact CB-CD2 4.32Å; K336-F400 HydrophobicContact CB-CE1 4.29Å; K336-F400 HydrophobicContact CB-CE2 4.41Å; K336-F400 HydrophobicContact CB-CG 4.23Å; K336-F400 HydrophobicContact CB-CZ 4.39Å; K336-F400 HydrophobicContact CD-CB 4.19Å; K336-F400 HydrophobicContact CD-CD1 4.14Å; K336-F400 HydrophobicContact CD-CG 4.22Å; K336-F400 HydrophobicContact CG-CB 4.41Å; K336-F400 HydrophobicContact CG-CD1 4.45Å; K336-F400 HydrophobicContact CG-CG 4.24Å; K336-F400 PolarHBondContact NZ-O 2.95Å; L339-F400 HydrophobicContact CD1-CD2 3.85Å; L339-F400 HydrophobicContact CD1-CE2 3.9Å; S398-F400 VanDerWaalsContact CB-CD2 3.47Å; S398-F400 PolarHBondContact O-N 3.08Å; S398-F400 WeakPolarHBondContact OG-CD2 3.47Å; S398-F400 WeakPolarHBondContact OG-CG 3.2Å
401T81.6Confident90.5Very high41 Ų4133.9 Ų33.925%0.25218%0.178SC..SBendtrans-149.6134.1-174.2-50.50000109.3D399 A405 L406D399-T401 PolarHBondContact O-N 3.26Å; T401-A405 HydrophobicContact CG2-CB 3.7Å; T401-L406 HydrophobicContact CG2-CB 4.15Å
402N87.6Confident90.4Very high108 Ų10836.6 Ų36.658%0.57820%0.196SC*.  trans-68.6153.7173.768.768.4000111.4K404 A405 L406N402-K404 VanDerWaalsContact C-N 3.28Å; N402-K404 PolarHBondContact O-N 2.7Å; N402-K404 PolarHBondContact OD1-N 3.16Å; N402-A405 PolarHBondContact O-N 2.96Å; N402-A405 VanDerWaalsContact O-N 3.14Å; N402-A405 WeakPolarHBondContact OD1-CB 3.48Å; N402-A405 PolarHBondContact OD1-N 3.29Å; N402-L406 PolarHBondContact O-N 2.95Å
403F89.1Confident90.2Very high28 Ų2838.4 Ų38.412%0.12321%0.206CC..Hα-helixtrans-54.1-40.4-175.2177.9-106.7000113.6L406 L407 L461 L464 V474 L478F403-L406 PolarHBondContact O-N 2.94Å; F403-L407 HydrophobicContact CE1-CD2 4.4Å; F403-L407 WeakPolarHBondContact O-CB 3.48Å; F403-L407 PolarHBondContact O-N 3.1Å; F403-L461 HydrophobicContact CD1-CD1 4.46Å; F403-L461 HydrophobicContact CE1-CD1 4.19Å; F403-L464 HydrophobicContact CZ-CB 4.46Å; F403-L464 HydrophobicContact CZ-CD1 4.06Å; F403-V474 HydrophobicContact CD1-CG1 3.9Å; F403-V474 HydrophobicContact CD2-CG1 4.05Å; F403-V474 HydrophobicContact CE1-CG1 3.79Å; F403-V474 HydrophobicContact CE1-CG2 3.96Å; F403-V474 HydrophobicContact CE2-CG1 3.96Å; F403-V474 HydrophobicContact CE2-CG2 4.14Å; F403-V474 HydrophobicContact CG-CG1 4.03Å; F403-V474 HydrophobicContact CZ-CB 4.37Å; F403-V474 HydrophobicContact CZ-CG1 3.83Å; F403-V474 HydrophobicContact CZ-CG2 3.55Å; F403-L478 HydrophobicContact CD2-CB 4.2Å; F403-L478 HydrophobicContact CE2-CB 3.99Å; F403-L478 HydrophobicContact CE2-CD1 3.95Å
404K91.4Very high90.1Very high131 Ų13138.6 Ų38.657%0.5721%0.207SC*.Hα-helixtrans-64.3-46.5179.7-174177-178.9179.80111.9N402 L406 L407 H408 L461N402-K404 VanDerWaalsContact C-N 3.28Å; N402-K404 PolarHBondContact O-N 2.7Å; N402-K404 PolarHBondContact OD1-N 3.16Å; K404-L406 VanDerWaalsContact C-N 3.31Å; K404-L406 PolarHBondContact O-N 2.91Å; K404-L407 PolarHBondContact O-N 2.99Å; K404-H408 WeakPolarHBondContact O-CB 3.2Å; K404-H408 PolarHBondContact O-N 3.39Å; K404-L461 HydrophobicContact CD-CD2 3.99Å; K404-L461 HydrophobicContact CG-CD2 3.89Å
405A91.7Very high90Very high36 Ų3639.2 Ų39.230%0.29821%0.21SC..Hα-helixtrans-67.4-33.4177.500000112.2T401 N402 S409T401-A405 HydrophobicContact CG2-CB 3.7Å; N402-A405 PolarHBondContact O-N 2.96Å; N402-A405 VanDerWaalsContact O-N 3.14Å; N402-A405 WeakPolarHBondContact OD1-CB 3.48Å; N402-A405 PolarHBondContact OD1-N 3.29Å; A405-S409 WeakPolarHBondContact O-CB 3.38Å; A405-S409 PolarHBondContact O-N 3.48Å; A405-S409 PolarHBondContact O-OG 2.9Å
406L92.2Very high89.2Confident1 Ų145.8 Ų45.81%0.00524%0.24CC..Hα-helixtrans-67.5-45.6174.1-173.367.1000111.5Y391 F392 A396 T401 N402 F403 K404 S409 A410 L434Y391-L406 HydrophobicContact CE1-CD1 4.43Å; F392-L406 HydrophobicContact CD1-CD1 3.66Å; F392-L406 HydrophobicContact CD1-CG 4.19Å; F392-L406 HydrophobicContact CE1-CD1 4.07Å; A396-L406 HydrophobicContact CB-CD2 3.63Å; T401-L406 HydrophobicContact CG2-CB 4.15Å; N402-L406 PolarHBondContact O-N 2.95Å; F403-L406 PolarHBondContact O-N 2.94Å; K404-L406 VanDerWaalsContact C-N 3.31Å; K404-L406 PolarHBondContact O-N 2.91Å; L406-S409 PolarHBondContact O-N 3.3Å; L406-A410 WeakPolarHBondContact O-CB 3.24Å; L406-A410 PolarHBondContact O-N 2.95Å; L406-L434 HydrophobicContact CD2-CD2 3.99Å; L406-L434 HydrophobicContact CG-CD2 4.17Å
407L93.8Very high88.8Confident1 Ų152.2 Ų52.21%0.00527%0.269CS..Hα-helixtrans-62.1-43.8177-175.265.9000111.1F403 K404 S409 A410 F411 L430 L434 L460 L461 L464F403-L407 HydrophobicContact CE1-CD2 4.4Å; F403-L407 WeakPolarHBondContact O-CB 3.48Å; F403-L407 PolarHBondContact O-N 3.1Å; K404-L407 PolarHBondContact O-N 2.99Å; L407-S409 PolarHBondContact O-N 3.05Å; L407-A410 PolarHBondContact O-N 3.12Å; L407-F411 WeakPolarHBondContact O-CB 3.44Å; L407-F411 PolarHBondContact O-N 3.4Å; L407-L430 HydrophobicContact CD1-CD2 4.2Å; L407-L434 HydrophobicContact CD1-CD1 4.19Å; L407-L460 HydrophobicContact CD1-CD2 4.07Å; L407-L461 HydrophobicContact CD2-CB 3.81Å; L407-L461 HydrophobicContact CD2-CD1 3.75Å; L407-L461 HydrophobicContact CD2-CG 4.36Å; L407-L464 HydrophobicContact CD1-CD1 4.05Å; L407-L464 HydrophobicContact CD2-CD1 4.1Å
408H94.1Very high88.6Confident90 Ų9056.2 Ų56.242%0.41730%0.299SS..Hα-helixtrans-56-50.5173.3-177.866.6000111.3K404 A410 F411 T412 E457K404-H408 WeakPolarHBondContact O-CB 3.2Å; K404-H408 PolarHBondContact O-N 3.39Å; H408-A410 VanDerWaalsContact C-N 3.28Å; H408-A410 PolarHBondContact O-N 3.46Å; H408-F411 PolarHBondContact O-N 2.97Å; H408-T412 PolarHBondContact O-N 3.07Å; H408-T412 PolarHBondContact O-OG1 2.96Å; H408-T412 VanDerWaalsContact O-OG1 3.04Å; H408-E457 VanDerWaalsContact CA-OE1 3.3Å; H408-E457 WeakPolarHBondContact CA-OE1 3.43Å; H408-E457 WeakPolarHBondContact CB-OE1 3.38Å; H408-E457 IonicContact CE1-OE2 2.78Å; H408-E457 IonicContact CG-OE1 2.75Å; H408-E457 IonicContact CG-OE2 3.59Å; H408-E457 IonicContact ND1-OE1 3.56Å; H408-E457 PolarHBondContact ND1-OE1 3.29Å; H408-E457 IonicContact ND1-OE2 3.89Å; H408-E457 PolarHBondContact ND1-OE2 3.07Å
409S92.1Very high88.6Confident27 Ų2760.2 Ų60.219%0.18932%0.315CS..Hα-helixtrans-61.1-36.5178.9-61.20000112.8A405 L406 L407 L413A405-S409 WeakPolarHBondContact O-CB 3.38Å; A405-S409 PolarHBondContact O-N 3.48Å; A405-S409 PolarHBondContact O-OG 2.9Å; L406-S409 PolarHBondContact O-N 3.3Å; L407-S409 PolarHBondContact O-N 3.05Å; S409-L413 WeakPolarHBondContact O-CB 3.44Å; S409-L413 PolarHBondContact O-N 2.95Å
410A93.2Very high88.8Confident0 Ų055.3 Ų55.30%030%0.299CS..Hα-helixtrans-69.3-47.1175.200000111F392 L406 L407 H408 T412 L413 F414 L430F392-A410 HydrophobicContact CD1-CB 3.88Å; F392-A410 VanDerWaalsContact CE1-CA 3.47Å; F392-A410 HydrophobicContact CE1-CB 3.49Å; F392-A410 VanDerWaalsContact CE1-CB 3.49Å; F392-A410 HydrophobicContact CE2-CB 4.41Å; F392-A410 HydrophobicContact CZ-CB 3.82Å; L406-A410 WeakPolarHBondContact O-CB 3.24Å; L406-A410 PolarHBondContact O-N 2.95Å; L407-A410 PolarHBondContact O-N 3.12Å; H408-A410 VanDerWaalsContact C-N 3.28Å; H408-A410 PolarHBondContact O-N 3.46Å; A410-T412 PolarHBondContact O-N 3.35Å; A410-L413 PolarHBondContact O-N 2.95Å; A410-L413 VanDerWaalsContact O-N 3.1Å; A410-F414 VanDerWaalsContact O-CD2 3.26Å; A410-F414 WeakPolarHBondContact O-CD2 3.27Å; A410-F414 PolarHBondContact O-N 3.48Å; A410-L430 HydrophobicContact CB-CD1 4.07Å; A410-L430 HydrophobicContact CB-CG 4Å
411F94.9Very high89.3Confident6 Ų654.8 Ų54.83%0.02630%0.3CS..Hα-helixtrans-57.8-49.9179.5-163.1-78.4000111.2L407 H408 L413 F414 D415 L422 L430 E457 L460L407-F411 WeakPolarHBondContact O-CB 3.44Å; L407-F411 PolarHBondContact O-N 3.4Å; H408-F411 PolarHBondContact O-N 2.97Å; F411-L413 VanDerWaalsContact C-N 3.25Å; F411-L413 PolarHBondContact O-N 2.95Å; F411-F414 PolarHBondContact O-N 2.89Å; F411-D415 HydrophobicContact CD1-CB 4.46Å; F411-D415 HydrophobicContact CE1-CB 4.43Å; F411-D415 VanDerWaalsContact O-CB 3.29Å; F411-D415 WeakPolarHBondContact O-CB 3.45Å; F411-D415 PolarHBondContact O-N 3.39Å; F411-L422 HydrophobicContact CD1-CD2 4.46Å; F411-L422 HydrophobicContact CD2-CD1 3.68Å; F411-L422 HydrophobicContact CD2-CG 4.05Å; F411-L422 HydrophobicContact CE1-CD2 4.21Å; F411-L422 HydrophobicContact CE1-CG 4.27Å; F411-L422 HydrophobicContact CE2-CD1 3.6Å; F411-L422 HydrophobicContact CE2-CD2 4.3Å; F411-L422 HydrophobicContact CE2-CG 3.56Å; F411-L422 HydrophobicContact CG-CD1 4.39Å; F411-L422 HydrophobicContact CZ-CD1 4.24Å; F411-L422 HydrophobicContact CZ-CD2 4.13Å; F411-L422 HydrophobicContact CZ-CG 3.68Å; F411-L430 HydrophobicContact CB-CD1 4.33Å; F411-L430 HydrophobicContact CD2-CD1 4.45Å; F411-E457 HydrophobicContact CB-CG 4.14Å; F411-E457 HydrophobicContact CD1-CB 4Å; F411-E457 HydrophobicContact CD1-CG 4.5Å; F411-E457 HydrophobicContact CD2-CB 3.81Å; F411-E457 HydrophobicContact CD2-CG 4.1Å; F411-E457 HydrophobicContact CE1-CB 4.13Å; F411-E457 VanDerWaalsContact CE2-CA 3.43Å; F411-E457 HydrophobicContact CE2-CB 3.93Å; F411-E457 VanDerWaalsContact CE2-N 3.26Å; F411-E457 HydrophobicContact CG-CB 3.83Å; F411-E457 HydrophobicContact CG-CG 3.99Å; F411-E457 HydrophobicContact CZ-CB 4.09Å; F411-E457 VanDerWaalsContact CZ-N 3.26Å; F411-L460 HydrophobicContact CD2-CD2 4.32Å
412T92Very high89.9Confident80 Ų8053 Ų5349%0.49129%0.289SS..Hα-helixtrans-60.9-33.2177-50.30000112.8H408 A410H408-T412 PolarHBondContact O-N 3.07Å; H408-T412 PolarHBondContact O-OG1 2.96Å; H408-T412 VanDerWaalsContact O-OG1 3.04Å; A410-T412 PolarHBondContact O-N 3.35Å
413L90.1Very high90.2Very high38 Ų3850 Ų5020%0.19928%0.276CS..Hα-helixtrans-76.5-35.8-179.6-167.376.5000112.8I343 R347 R388 F392 S409 A410 F411I343-L413 HydrophobicContact CD1-CD2 3.81Å; R347-L413 HydrophobicContact CG-CD1 4.09Å; R388-L413 HydrophobicContact CB-CD2 4.25Å; R388-L413 HydrophobicContact CG-CD2 3.81Å; F392-L413 HydrophobicContact CE2-CD2 3.54Å; F392-L413 HydrophobicContact CZ-CB 4.42Å; F392-L413 HydrophobicContact CZ-CD2 4.04Å; S409-L413 WeakPolarHBondContact O-CB 3.44Å; S409-L413 PolarHBondContact O-N 2.95Å; A410-L413 PolarHBondContact O-N 2.95Å; A410-L413 VanDerWaalsContact O-N 3.1Å; F411-L413 VanDerWaalsContact C-N 3.25Å; F411-L413 PolarHBondContact O-N 2.95Å
414F90.9Very high90.3Very high7 Ų750.1 Ų50.13%0.03129%0.285CS..Hα-helixtrans-91.2-14.6-178.2-73-77.1000113.3R388 F392 A410 F411 Q416 E426 D429 L430 A433R388-F414 HydrophobicContact CB-CZ 4.5Å; F392-F414 HydrophobicContact CD2-CE2 4.24Å; F392-F414 HydrophobicContact CE2-CE2 4.03Å; A410-F414 VanDerWaalsContact O-CD2 3.26Å; A410-F414 WeakPolarHBondContact O-CD2 3.27Å; A410-F414 PolarHBondContact O-N 3.48Å; F411-F414 PolarHBondContact O-N 2.89Å; F414-Q416 VanDerWaalsContact C-N 3.28Å; F414-Q416 PolarHBondContact O-N 3.47Å; F414-E426 WeakPolarHBondContact O-CG 3.24Å; F414-D429 HydrophobicContact CD1-CB 3.75Å; F414-D429 HydrophobicContact CE1-CB 3.68Å; F414-L430 HydrophobicContact CB-CB 4.26Å; F414-L430 HydrophobicContact CD2-CB 3.85Å; F414-L430 HydrophobicContact CD2-CD1 4.49Å; F414-L430 HydrophobicContact CD2-CG 4.16Å; F414-L430 HydrophobicContact CE2-CB 4.47Å; F414-L430 HydrophobicContact CG-CB 4.08Å; F414-A433 HydrophobicContact CE2-CB 3.74Å; F414-A433 HydrophobicContact CZ-CB 3.66Å
415D91.1Very high90.4Very high12 Ų1251 Ų516%0.06429%0.292CS..  trans-76.577.2166.2-175.36.4000110.5F411 E417 S418 K419 G420 L422F411-D415 HydrophobicContact CD1-CB 4.46Å; F411-D415 HydrophobicContact CE1-CB 4.43Å; F411-D415 VanDerWaalsContact O-CB 3.29Å; F411-D415 WeakPolarHBondContact O-CB 3.45Å; F411-D415 PolarHBondContact O-N 3.39Å; D415-E417 PolarHBondContact O-N 3.44Å; D415-E417 VanDerWaalsContact O-N 3.1Å; D415-S418 PolarHBondContact O-N 2.84Å; D415-S418 VanDerWaalsContact O-N 3.12Å; D415-S418 WeakPolarHBondContact OD1-CA 3.29Å; D415-S418 PolarHBondContact OD1-N 2.89Å; D415-S418 VanDerWaalsContact OD1-N 3.12Å; D415-S418 VanDerWaalsContact OD2-C 3.29Å; D415-S418 WeakPolarHBondContact OD2-CA 3.48Å; D415-K419 VanDerWaalsContact CG-N 3.31Å; D415-K419 PolarHBondContact OD1-N 3.46Å; D415-K419 PolarHBondContact OD2-N 3.34Å; D415-G420 WeakPolarHBondContact OD2-CA 3.44Å; D415-G420 PolarHBondContact OD2-N 3.16Å; D415-L422 HydrophobicContact CB-CD2 3.73Å
416Q76.5Confident90.5Very high140 Ų14050.1 Ų50.165%0.65428%0.281SS*.THydrogen-bonded Turntrans-60.6-25.3-171-64.1-1771200113.6F414F414-Q416 VanDerWaalsContact C-N 3.28Å; F414-Q416 PolarHBondContact O-N 3.47Å
417E81.3Confident90.6Very high141 Ų14150 Ų5066%0.65928%0.281SS*.THydrogen-bonded Turntrans-109.38.4-176.8-61.8175.4150.100112.6D415 K419D415-E417 PolarHBondContact O-N 3.44Å; D415-E417 VanDerWaalsContact O-N 3.1Å; E417-K419 HydrophobicContact CB-CD 4.01Å; E417-K419 HydrophobicContact CB-CG 3.83Å; E417-K419 PolarHBondContact O-N 2.86Å; E417-K419 WeakPolarHBondContact OE2-CD 3.36Å; E417-K419 VanDerWaalsContact OE2-CE 3.26Å; E417-K419 WeakPolarHBondContact OE2-CE 3.32Å; E417-K419 IonicContact OE2-NZ 3.43Å; E417-K419 PolarHBondContact OE2-NZ 3.37Å
418S83.8Confident90.7Very high104 Ų10450.7 Ų50.773%0.72729%0.285SS*.  trans51.238.6-176.6-57.70000112.7D415 G420D415-S418 PolarHBondContact O-N 2.84Å; D415-S418 VanDerWaalsContact O-N 3.12Å; D415-S418 WeakPolarHBondContact OD1-CA 3.29Å; D415-S418 PolarHBondContact OD1-N 2.89Å; D415-S418 VanDerWaalsContact OD1-N 3.12Å; D415-S418 VanDerWaalsContact OD2-C 3.29Å; D415-S418 WeakPolarHBondContact OD2-CA 3.48Å; S418-G420 PolarHBondContact O-N 3.22Å
419K86.9Confident90.7Very high92 Ų9249.9 Ų49.940%0.428%0.284SS..  trans-70.1-19.2-178.8-73.8168-70.7-149.80112.4D415 E417 S421 E426D415-K419 VanDerWaalsContact CG-N 3.31Å; D415-K419 PolarHBondContact OD1-N 3.46Å; D415-K419 PolarHBondContact OD2-N 3.34Å; E417-K419 HydrophobicContact CB-CD 4.01Å; E417-K419 HydrophobicContact CB-CG 3.83Å; E417-K419 PolarHBondContact O-N 2.86Å; E417-K419 WeakPolarHBondContact OE2-CD 3.36Å; E417-K419 VanDerWaalsContact OE2-CE 3.26Å; E417-K419 WeakPolarHBondContact OE2-CE 3.32Å; E417-K419 IonicContact OE2-NZ 3.43Å; E417-K419 PolarHBondContact OE2-NZ 3.37Å; K419-S421 PolarHBondContact O-N 2.96Å; K419-E426 IonicContact NZ-OE1 3.44Å; K419-E426 PolarHBondContact NZ-OE1 3.43Å; K419-E426 IonicContact NZ-OE2 3Å
420G89.2Confident90.8Very high41 Ų4148.6 Ų48.642%0.42328%0.275SS..SBendtrans7211.9-16600000112.9D415 S418D415-G420 WeakPolarHBondContact OD2-CA 3.44Å; D415-G420 PolarHBondContact OD2-N 3.16Å; S418-G420 PolarHBondContact O-N 3.22Å
421S92.5Very high90.9Very high26 Ų2648.6 Ų48.618%0.18228%0.275CS..SBendtrans-149.4148.6176.862.10000111.8K419 L455K419-S421 PolarHBondContact O-N 2.96Å; S421-L455 WeakPolarHBondContact CA-O 3.2Å; S421-L455 WeakPolarHBondContact CB-O 2.95Å
422L93.6Very high90.9Very high4 Ų448.4 Ų48.42%0.02127%0.274CS..  trans-105.7145.5176.2-45172.2000111.3F411 D415 E426 L430 Y446 L455F411-L422 HydrophobicContact CD1-CD2 4.46Å; F411-L422 HydrophobicContact CD2-CD1 3.68Å; F411-L422 HydrophobicContact CD2-CG 4.05Å; F411-L422 HydrophobicContact CE1-CD2 4.21Å; F411-L422 HydrophobicContact CE1-CG 4.27Å; F411-L422 HydrophobicContact CE2-CD1 3.6Å; F411-L422 HydrophobicContact CE2-CD2 4.3Å; F411-L422 HydrophobicContact CE2-CG 3.56Å; F411-L422 HydrophobicContact CG-CD1 4.39Å; F411-L422 HydrophobicContact CZ-CD1 4.24Å; F411-L422 HydrophobicContact CZ-CD2 4.13Å; F411-L422 HydrophobicContact CZ-CG 3.68Å; D415-L422 HydrophobicContact CB-CD2 3.73Å; L422-E426 HydrophobicContact CB-CB 3.85Å; L422-E426 HydrophobicContact CD2-CB 4.18Å; L422-E426 HydrophobicContact CG-CB 4.5Å; L422-L430 HydrophobicContact CD1-CD1 3.66Å; L422-Y446 WeakPolarHBondContact O-CE2 3.43Å; L422-L455 HydrophobicContact CB-CD2 3.6Å; L422-L455 HydrophobicContact CD1-CD2 4.05Å; L422-L455 HydrophobicContact CG-CD2 4.09Å; L422-L455 PolarHBondContact N-O 3.35Å; L422-L455 VanDerWaalsContact N-O 3.07Å
423S93.4Very high91Very high46 Ų4644.6 Ų44.632%0.32225%0.251SS..  trans-71.9168.7162.464.30000111.6E425 E426 L427S423-E425 PolarHBondContact O-N 2.9Å; S423-E426 VanDerWaalsContact CB-OE2 3.29Å; S423-E426 WeakPolarHBondContact CB-OE2 3.42Å; S423-E426 PolarHBondContact N-OE2 3.47Å; S423-E426 PolarHBondContact O-N 2.88Å; S423-E426 WeakPolarHBondContact OG-CB 3.24Å; S423-E426 VanDerWaalsContact OG-CD 3.31Å; S423-E426 WeakPolarHBondContact OG-CG 3.21Å; S423-E426 PolarHBondContact OG-N 3.29Å; S423-E426 PolarHBondContact OG-OE2 3.31Å; S423-L427 WeakPolarHBondContact O-CB 3.23Å; S423-L427 PolarHBondContact O-N 3.39Å
424G91.6Very high91.2Very high30 Ų3042.9 Ų42.931%0.30924%0.242SC..Hα-helixtrans-61.3-32.7175.700000113.5S428G424-S428 WeakPolarHBondContact O-CB 3.36Å; G424-S428 PolarHBondContact O-N 3.4Å
425E92.6Very high91.3Very high150 Ų15042.9 Ų42.970%0.70124%0.242SC*.Hα-helixtrans-70.9-47.9176.1-173.4172.2-170.100111.2S423 L427 S428 D429S423-E425 PolarHBondContact O-N 2.9Å; E425-L427 VanDerWaalsContact C-N 3.31Å; E425-L427 PolarHBondContact O-N 2.96Å; E425-S428 WeakPolarHBondContact O-CA 3.39Å; E425-S428 VanDerWaalsContact O-CB 3.27Å; E425-S428 WeakPolarHBondContact O-CB 3.33Å; E425-S428 PolarHBondContact O-N 2.65Å; E425-D429 PolarHBondContact O-N 2.82Å
426E94.3Very high91.3Very high16 Ų1642.3 Ų42.38%0.07524%0.24CC..Hα-helixtrans-61.2-38176.3-7216114700111.8F414 K419 L422 S423 D429 L430F414-E426 WeakPolarHBondContact O-CG 3.24Å; K419-E426 IonicContact NZ-OE1 3.44Å; K419-E426 PolarHBondContact NZ-OE1 3.43Å; K419-E426 IonicContact NZ-OE2 3Å; L422-E426 HydrophobicContact CB-CB 3.85Å; L422-E426 HydrophobicContact CD2-CB 4.18Å; L422-E426 HydrophobicContact CG-CB 4.5Å; S423-E426 VanDerWaalsContact CB-OE2 3.29Å; S423-E426 WeakPolarHBondContact CB-OE2 3.42Å; S423-E426 PolarHBondContact N-OE2 3.47Å; S423-E426 PolarHBondContact O-N 2.88Å; S423-E426 WeakPolarHBondContact OG-CB 3.24Å; S423-E426 VanDerWaalsContact OG-CD 3.31Å; S423-E426 WeakPolarHBondContact OG-CG 3.21Å; S423-E426 PolarHBondContact OG-N 3.29Å; S423-E426 PolarHBondContact OG-OE2 3.31Å; E426-D429 PolarHBondContact O-N 2.9Å; E426-L430 WeakPolarHBondContact O-CB 3.24Å; E426-L430 PolarHBondContact O-N 3.16Å
427L95.3Very high91.9Very high0 Ų036.1 Ų36.10%021%0.211CC..Hα-helixtrans-64-40.5171.9175.363.1000111.9S423 E425 D429 L430 M431 L445 Y446 L455 L460S423-L427 WeakPolarHBondContact O-CB 3.23Å; S423-L427 PolarHBondContact O-N 3.39Å; E425-L427 VanDerWaalsContact C-N 3.31Å; E425-L427 PolarHBondContact O-N 2.96Å; L427-D429 VanDerWaalsContact C-N 3.34Å; L427-L430 PolarHBondContact O-N 3.48Å; L427-M431 HydrophobicContact CD1-CG 3.89Å; L427-M431 HydrophobicContact CG-CG 4.43Å; L427-M431 WeakPolarHBondContact O-CB 3.21Å; L427-M431 WeakPolarHBondContact O-CG 3.44Å; L427-M431 PolarHBondContact O-N 2.87Å; L427-L445 HydrophobicContact CD1-CD2 4.3Å; L427-L445 HydrophobicContact CD2-CD2 4.38Å; L427-L445 HydrophobicContact CD2-CG 4.18Å; L427-Y446 HydrophobicContact CD2-CD2 3.9Å; L427-Y446 HydrophobicContact CD2-CG 4.35Å; L427-L455 HydrophobicContact CB-CD2 4.11Å; L427-L455 HydrophobicContact CD1-CD2 4.19Å; L427-L455 HydrophobicContact CD2-CD1 4.18Å; L427-L455 HydrophobicContact CD2-CD2 4.23Å; L427-L455 HydrophobicContact CG-CD2 4.4Å; L427-L460 HydrophobicContact CD1-CD1 3.9Å; L427-L460 HydrophobicContact CD1-CD2 4Å
428S94.9Very high92.4Very high14 Ų1432.5 Ų32.510%0.09820%0.2CC..Hα-helixtrans-62.6-42.9177.7-159.80000111.7G424 E425 G432 Q439G424-S428 WeakPolarHBondContact O-CB 3.36Å; G424-S428 PolarHBondContact O-N 3.4Å; E425-S428 WeakPolarHBondContact O-CA 3.39Å; E425-S428 VanDerWaalsContact O-CB 3.27Å; E425-S428 WeakPolarHBondContact O-CB 3.33Å; E425-S428 PolarHBondContact O-N 2.65Å; S428-G432 PolarHBondContact O-N 2.77Å; S428-Q439 VanDerWaalsContact OG-C 3.23Å; S428-Q439 PolarHBondContact OG-O 2.99Å
429D93.6Very high92.8Very high74 Ų7427.9 Ų27.940%0.39617%0.166SC..Hα-helixtrans-66.9-43.1176-78.3-12000112.1F414 E425 E426 L427 G432 A433F414-D429 HydrophobicContact CD1-CB 3.75Å; F414-D429 HydrophobicContact CE1-CB 3.68Å; E425-D429 PolarHBondContact O-N 2.82Å; E426-D429 PolarHBondContact O-N 2.9Å; L427-D429 VanDerWaalsContact C-N 3.34Å; D429-G432 PolarHBondContact O-N 3.44Å; D429-A433 WeakPolarHBondContact O-CB 3.48Å; D429-A433 PolarHBondContact O-N 3.37Å
430L95.6Very high92.9Very high0 Ų030.9 Ų30.90%018%0.182CC..Hα-helixtrans-59.5-52.7176.2-179.1155000111.3L407 A410 F411 F414 L422 E426 L427 G432 A433 L434 L460L407-L430 HydrophobicContact CD1-CD2 4.2Å; A410-L430 HydrophobicContact CB-CD1 4.07Å; A410-L430 HydrophobicContact CB-CG 4Å; F411-L430 HydrophobicContact CB-CD1 4.33Å; F411-L430 HydrophobicContact CD2-CD1 4.45Å; F414-L430 HydrophobicContact CB-CB 4.26Å; F414-L430 HydrophobicContact CD2-CB 3.85Å; F414-L430 HydrophobicContact CD2-CD1 4.49Å; F414-L430 HydrophobicContact CD2-CG 4.16Å; F414-L430 HydrophobicContact CE2-CB 4.47Å; F414-L430 HydrophobicContact CG-CB 4.08Å; L422-L430 HydrophobicContact CD1-CD1 3.66Å; E426-L430 WeakPolarHBondContact O-CB 3.24Å; E426-L430 PolarHBondContact O-N 3.16Å; L427-L430 PolarHBondContact O-N 3.48Å; L430-G432 PolarHBondContact O-N 3.49Å; L430-A433 PolarHBondContact O-N 3.42Å; L430-A433 VanDerWaalsContact O-N 3.16Å; L430-L434 HydrophobicContact CD2-CD1 3.63Å; L430-L434 HydrophobicContact CD2-CG 4.39Å; L430-L434 PolarHBondContact O-N 3.37Å; L430-L460 HydrophobicContact CD1-CD2 4.47Å; L430-L460 HydrophobicContact CD2-CD2 4.28Å
431M95.8Very high92.9Very high0 Ų032.8 Ų32.80%018%0.182CC..Hα-helixtrans-64.9-33.7178.8-68.8-54.1-58.200111.3L310 L427 A433 L434 L435 Q439 L445 L464L310-M431 HydrophobicContact CD1-CE 3.84Å; L310-M431 HydrophobicContact CD2-CB 4.3Å; L310-M431 HydrophobicContact CD2-CE 4.45Å; L310-M431 HydrophobicContact CD2-CG 4.42Å; L427-M431 HydrophobicContact CD1-CG 3.89Å; L427-M431 HydrophobicContact CG-CG 4.43Å; L427-M431 WeakPolarHBondContact O-CB 3.21Å; L427-M431 WeakPolarHBondContact O-CG 3.44Å; L427-M431 PolarHBondContact O-N 2.87Å; M431-A433 VanDerWaalsContact C-N 3.35Å; M431-L434 PolarHBondContact O-N 2.89Å; M431-L434 HydrophobicContact SD-CD1 4.17Å; M431-L435 HydrophobicContact CE-CD1 4.25Å; M431-L435 WeakPolarHBondContact O-CB 3.31Å; M431-L435 WeakPolarHBondContact O-CG 3.13Å; M431-L435 PolarHBondContact O-N 3.32Å; M431-Q439 HydrophobicContact CB-CG 4.01Å; M431-L445 HydrophobicContact CE-CD2 4.48Å; M431-L445 HydrophobicContact CG-CD2 3.96Å; M431-L445 HydrophobicContact SD-CD2 4.2Å; M431-L464 HydrophobicContact CE-CD2 4.46Å
432G93.8Very high92.9Very high1 Ų132.1 Ų32.11%0.0118%0.177CC..Hα-helixtrans-66.3-35.4174.300000113.5S428 D429 L430 G436 I437S428-G432 PolarHBondContact O-N 2.77Å; D429-G432 PolarHBondContact O-N 3.44Å; L430-G432 PolarHBondContact O-N 3.49Å; G432-G436 CarbonylContact O-C 3.53Å; G432-G436 WeakPolarHBondContact O-CA 3.41Å; G432-G436 PolarHBondContact O-N 3.43Å; G432-I437 WeakPolarHBondContact CA-O 3.12Å; G432-I437 PolarHBondContact O-N 3.48Å; G432-I437 VanDerWaalsContact O-N 3.15Å
433A94.1Very high92.8Very high0 Ų034.7 Ų34.70%020%0.195CC..Hα-helixtrans-70.2-40.7174.600000112.5Q389 F392 S393 F414 D429 L430 M431Q389-A433 HydrophobicContact CG-CB 4.41Å; F392-A433 HydrophobicContact CB-CB 4.12Å; F392-A433 WeakPolarHBondContact CB-O 3.41Å; F392-A433 HydrophobicContact CD2-CB 3.92Å; F392-A433 HydrophobicContact CG-CB 4.36Å; S393-A433 PolarHBondContact N-O 3.21Å; S393-A433 VanDerWaalsContact N-O 3.14Å; F414-A433 HydrophobicContact CE2-CB 3.74Å; F414-A433 HydrophobicContact CZ-CB 3.66Å; D429-A433 WeakPolarHBondContact O-CB 3.48Å; D429-A433 PolarHBondContact O-N 3.37Å; L430-A433 PolarHBondContact O-N 3.42Å; L430-A433 VanDerWaalsContact O-N 3.16Å; M431-A433 VanDerWaalsContact C-N 3.35Å
434L94.3Very high92.8Very high3 Ų336.9 Ų36.92%0.01620%0.204CC..Hα-helixtrans-65.8-44.9176.2-72.1174.3000112.2F392 S393 L406 L407 L430 M431 G436 L478F392-L434 HydrophobicContact CB-CD2 4.25Å; F392-L434 HydrophobicContact CD1-CD2 4.32Å; S393-L434 WeakPolarHBondContact CA-O 3.28Å; L406-L434 HydrophobicContact CD2-CD2 3.99Å; L406-L434 HydrophobicContact CG-CD2 4.17Å; L407-L434 HydrophobicContact CD1-CD1 4.19Å; L430-L434 HydrophobicContact CD2-CD1 3.63Å; L430-L434 HydrophobicContact CD2-CG 4.39Å; L430-L434 PolarHBondContact O-N 3.37Å; M431-L434 PolarHBondContact O-N 2.89Å; M431-L434 HydrophobicContact SD-CD1 4.17Å; L434-G436 VanDerWaalsContact C-N 3.34Å; L434-L478 HydrophobicContact CB-CD1 4.45Å; L434-L478 HydrophobicContact CB-CD2 3.9Å; L434-L478 WeakPolarHBondContact O-CD2 3.43Å
435L93.1Very high92.9Very high6 Ų635.5 Ų35.53%0.03119%0.189CC..Hα-helixtrans-84.5-9.5-177.8-65.7167.5000113.2L310 L312 M431 I437 V473 L478L310-L435 HydrophobicContact CB-CD1 4.42Å; L310-L435 HydrophobicContact CD1-CD1 4.5Å; L312-L435 HydrophobicContact CD2-CD1 3.92Å; L312-L435 HydrophobicContact CD2-CD2 3.74Å; M431-L435 HydrophobicContact CE-CD1 4.25Å; M431-L435 WeakPolarHBondContact O-CB 3.31Å; M431-L435 WeakPolarHBondContact O-CG 3.13Å; M431-L435 PolarHBondContact O-N 3.32Å; L435-I437 PolarHBondContact O-N 3.41Å; L435-V473 HydrophobicContact CD2-CG1 4.26Å; L435-L478 HydrophobicContact CD2-CD2 3.95Å; L435-L478 HydrophobicContact CD2-CG 4.29Å
436G90.8Very high93Very high1 Ų131.7 Ų31.71%0.0117%0.169CC..THydrogen-bonded Turntrans73.98.2179.600000114.8Y379 G432 L434Y379-G436 WeakPolarHBondContact CD1-O 3.4Å; G432-G436 CarbonylContact O-C 3.53Å; G432-G436 WeakPolarHBondContact O-CA 3.41Å; G432-G436 PolarHBondContact O-N 3.43Å; L434-G436 VanDerWaalsContact C-N 3.34Å
437I90.1Very high92.9Very high10 Ų1035.3 Ų35.35%0.05119%0.192CC..SBendtrans-137.9141.9175.658165.5000111.3V302 V304 S311 P313 P317 G432 L435 Q439V302-I437 HydrophobicContact CB-CG2 4.49Å; V302-I437 HydrophobicContact CG1-CG2 4.18Å; V302-I437 HydrophobicContact CG2-CG2 4.2Å; V304-I437 HydrophobicContact CG1-CD1 3.43Å; V304-I437 VanDerWaalsContact CG1-CD1 3.43Å; S311-I437 WeakPolarHBondContact O-CD1 3.36Å; P313-I437 HydrophobicContact CB-CD1 4.26Å; P313-I437 HydrophobicContact CG-CD1 4.37Å; P313-I437 HydrophobicContact CG-CG1 4.44Å; P317-I437 HydrophobicContact CG-CG2 4Å; G432-I437 WeakPolarHBondContact CA-O 3.12Å; G432-I437 PolarHBondContact O-N 3.48Å; G432-I437 VanDerWaalsContact O-N 3.15Å; L435-I437 PolarHBondContact O-N 3.41Å; I437-Q439 PolarHBondContact O-N 2.94Å; I437-Q439 PolarHBondContact O-NE2 3.05Å; I437-Q439 VanDerWaalsContact O-NE2 3.15Å
438P90.6Very high92.8Very high65 Ų6538.8 Ų38.842%0.42221%0.208SC..  trans-54.7133.5178.1-26.134.5000112.6
439Q93.2Very high92.6Very high6 Ų638.1 Ų38.13%0.02820%0.203CC..  trans-97.5146.4173.5-57.8-61.2-47.800109.5L310 S311 S428 M431 I437 T442L310-Q439 HydrophobicContact CD2-CG 4.44Å; S311-Q439 PolarHBondContact O-NE2 3.32Å; S428-Q439 VanDerWaalsContact OG-C 3.23Å; S428-Q439 PolarHBondContact OG-O 2.99Å; M431-Q439 HydrophobicContact CB-CG 4.01Å; I437-Q439 PolarHBondContact O-N 2.94Å; I437-Q439 PolarHBondContact O-NE2 3.05Å; I437-Q439 VanDerWaalsContact O-NE2 3.15Å; Q439-T442 HydrophobicContact CB-CG2 3.85Å
440H89.3Confident92.6Very high155 Ų15535.7 Ų35.772%0.71819%0.193SC*.SBendtrans-131.5-7.8-179.5-61.4-49.4000113.2
441N88.6Confident92.1Very high82 Ų8239.3 Ų39.344%0.43922%0.217SC..  trans-137.970.2-175.6-160.9-1.3000110.6G309 S443G309-N441 CarbonylContact C-O 3.52Å; G309-N441 WeakPolarHBondContact CA-O 3.32Å; N441-S443 PolarHBondContact OD1-OG 3.27Å
442T92.9Very high91.3Very high11 Ų1146.1 Ų46.17%0.06725%0.249CC..  trans-103.19.2179.651.90000113L310 Q439 D444 L445 Y446L310-T442 HydrophobicContact CD2-CG2 3.95Å; Q439-T442 HydrophobicContact CB-CG2 3.85Å; T442-D444 VanDerWaalsContact C-N 3.33Å; T442-D444 PolarHBondContact O-N 2.81Å; T442-L445 PolarHBondContact O-N 3.43Å; T442-Y446 WeakPolarHBondContact O-CB 3.32Å; T442-Y446 PolarHBondContact O-N 3.35Å
443S92.1Very high90.9Very high58 Ų5848.5 Ų48.541%0.40627%0.274SS..Hα-helixtrans-57.9-43.8-175.954.10000112.6N441 Y446 T447N441-S443 PolarHBondContact OD1-OG 3.27Å; S443-Y446 WeakPolarHBondContact O-CB 3.36Å; S443-Y446 PolarHBondContact O-N 2.9Å; S443-T447 WeakPolarHBondContact O-CB 3.18Å; S443-T447 PolarHBondContact O-N 3.48Å; S443-T447 PolarHBondContact O-OG1 3.25Å; S443-T447 VanDerWaalsContact O-OG1 3.09Å
444D92.1Very high90.6Very high93 Ų9352.5 Ų52.550%0.49730%0.299SS..Hα-helixtrans-67.8-42.7-176.2-58.8-9.4000110.6T442 Y446 T447 E448T442-D444 VanDerWaalsContact C-N 3.33Å; T442-D444 PolarHBondContact O-N 2.81Å; D444-Y446 VanDerWaalsContact C-N 3.33Å; D444-Y446 PolarHBondContact O-N 3.07Å; D444-T447 PolarHBondContact O-N 3.03Å; D444-E448 WeakPolarHBondContact O-CB 3.47Å; D444-E448 PolarHBondContact O-N 3.22Å
445L94.3Very high90.5Very high0 Ų052.4 Ų52.40%030%0.298CS..Hα-helixtrans-62.9-43.1174.4177.357.9000110.7L310 L427 M431 T442 E448 A449 L460 V463 L464 Y470L310-L445 HydrophobicContact CD1-CD2 4.4Å; L310-L445 HydrophobicContact CD2-CD2 4.33Å; L427-L445 HydrophobicContact CD1-CD2 4.3Å; L427-L445 HydrophobicContact CD2-CD2 4.38Å; L427-L445 HydrophobicContact CD2-CG 4.18Å; M431-L445 HydrophobicContact CE-CD2 4.48Å; M431-L445 HydrophobicContact CG-CD2 3.96Å; M431-L445 HydrophobicContact SD-CD2 4.2Å; T442-L445 PolarHBondContact O-N 3.43Å; L445-E448 PolarHBondContact O-N 3.17Å; L445-A449 VanDerWaalsContact O-CB 3.3Å; L445-A449 WeakPolarHBondContact O-CB 3.33Å; L445-A449 PolarHBondContact O-N 3.13Å; L445-L460 HydrophobicContact CD1-CD1 4.33Å; L445-L460 HydrophobicContact CD2-CD1 4.49Å; L445-L460 HydrophobicContact CG-CD1 4.49Å; L445-V463 HydrophobicContact CD1-CG1 3.74Å; L445-L464 HydrophobicContact CD1-CD2 4.33Å; L445-Y470 WeakPolarHBondContact CA-OH 3.24Å; L445-Y470 HydrophobicContact CB-CE1 3.9Å; L445-Y470 HydrophobicContact CB-CE2 4.44Å; L445-Y470 HydrophobicContact CD1-CD1 3.94Å; L445-Y470 HydrophobicContact CD1-CD2 3.93Å; L445-Y470 HydrophobicContact CD1-CE1 3.84Å; L445-Y470 HydrophobicContact CD1-CE2 3.83Å; L445-Y470 HydrophobicContact CD1-CG 3.99Å; L445-Y470 HydrophobicContact CD2-CE1 4.37Å; L445-Y470 HydrophobicContact CG-CE1 4.24Å; L445-Y470 PolarHBondContact N-OH 3.38Å; L445-Y470 VanDerWaalsContact N-OH 3.16Å
446Y94.2Very high90.5Very high71 Ų7154 Ų5428%0.27831%0.308SS..Hα-helixtrans-60.4-50.6177.5-174.5-88.4000111L422 L427 T442 S443 D444 E448 A449 S450 L455L422-Y446 WeakPolarHBondContact O-CE2 3.43Å; L427-Y446 HydrophobicContact CD2-CD2 3.9Å; L427-Y446 HydrophobicContact CD2-CG 4.35Å; T442-Y446 WeakPolarHBondContact O-CB 3.32Å; T442-Y446 PolarHBondContact O-N 3.35Å; S443-Y446 WeakPolarHBondContact O-CB 3.36Å; S443-Y446 PolarHBondContact O-N 2.9Å; D444-Y446 VanDerWaalsContact C-N 3.33Å; D444-Y446 PolarHBondContact O-N 3.07Å; Y446-E448 PolarHBondContact O-N 2.87Å; Y446-A449 CarbonylContact O-C 3.41Å; Y446-A449 PolarHBondContact O-N 3.22Å; Y446-S450 VanDerWaalsContact O-CB 3.24Å; Y446-S450 WeakPolarHBondContact O-CB 3.45Å; Y446-S450 PolarHBondContact O-N 2.96Å; Y446-S450 PolarHBondContact O-OG 3.48Å; Y446-L455 HydrophobicContact CD2-CB 4.46Å; Y446-L455 HydrophobicContact CD2-CD1 4.17Å; Y446-L455 HydrophobicContact CD2-CD2 4.43Å; Y446-L455 HydrophobicContact CE2-CB 4.02Å; Y446-L455 HydrophobicContact CE2-CD2 4.47Å
447T92.9Very high90.7Very high92 Ų9256.2 Ų56.256%0.56432%0.318SS*.Hα-helixtrans-59.4-44.6178.2-63.50000111.6S443 D444 A449 S450 S451S443-T447 WeakPolarHBondContact O-CB 3.18Å; S443-T447 PolarHBondContact O-N 3.48Å; S443-T447 PolarHBondContact O-OG1 3.25Å; S443-T447 VanDerWaalsContact O-OG1 3.09Å; D444-T447 PolarHBondContact O-N 3.03Å; T447-A449 PolarHBondContact O-N 3.25Å; T447-S450 WeakPolarHBondContact CA-OG 3.31Å; T447-S450 PolarHBondContact O-N 2.85Å; T447-S450 PolarHBondContact O-OG 3.2Å; T447-S451 PolarHBondContact O-N 3.43Å
448E92.6Very high90.9Very high72 Ų7263 Ų6334%0.33635%0.35SS..Hα-helixtrans-64.3-43.4179.2-172.157.3-146.200111.7D444 L445 Y446 S450 S451 V463D444-E448 WeakPolarHBondContact O-CB 3.47Å; D444-E448 PolarHBondContact O-N 3.22Å; L445-E448 PolarHBondContact O-N 3.17Å; Y446-E448 PolarHBondContact O-N 2.87Å; E448-S450 VanDerWaalsContact C-N 3.34Å; E448-S451 WeakPolarHBondContact O-CB 3.14Å; E448-S451 PolarHBondContact O-N 3.49Å; E448-S451 PolarHBondContact O-OG 3.33Å; E448-V463 HydrophobicContact CB-CG1 4.33Å; E448-V463 HydrophobicContact CG-CG1 3.81Å; E448-V463 HydrophobicContact CG-CG2 3.94Å
449A91.8Very high91Very high0 Ų060.7 Ų60.70%033%0.334CS..Hα-helixtrans-82.1-8.4179.900000113.8L445 Y446 T447 L455 N459 L460 V463L445-A449 VanDerWaalsContact O-CB 3.3Å; L445-A449 WeakPolarHBondContact O-CB 3.33Å; L445-A449 PolarHBondContact O-N 3.13Å; Y446-A449 CarbonylContact O-C 3.41Å; Y446-A449 PolarHBondContact O-N 3.22Å; T447-A449 PolarHBondContact O-N 3.25Å; A449-L455 HydrophobicContact CB-CD1 3.25Å; A449-L455 HydrophobicContact CB-CG 4.44Å; A449-N459 WeakPolarHBondContact O-CB 3.32Å; A449-L460 HydrophobicContact CB-CD1 4.46Å; A449-V463 HydrophobicContact CB-CB 4.26Å; A449-V463 HydrophobicContact CB-CG2 3.87Å
450S92.1Very high91.1Very high24 Ų2460.4 Ų60.417%0.16833%0.333CS..THydrogen-bonded Turntrans-105.36170.957.20000113Y446 T447 E448 Q452 G453Y446-S450 VanDerWaalsContact O-CB 3.24Å; Y446-S450 WeakPolarHBondContact O-CB 3.45Å; Y446-S450 PolarHBondContact O-N 2.96Å; Y446-S450 PolarHBondContact O-OG 3.48Å; T447-S450 WeakPolarHBondContact CA-OG 3.31Å; T447-S450 PolarHBondContact O-N 2.85Å; T447-S450 PolarHBondContact O-OG 3.2Å; E448-S450 VanDerWaalsContact C-N 3.34Å; S450-Q452 PolarHBondContact O-N 3.01Å; S450-G453 WeakPolarHBondContact CB-O 3.34Å; S450-G453 CarbonylContact O-C 3.58Å; S450-G453 PolarHBondContact O-N 3.49Å
451S85.4Confident91.4Very high75 Ų7554.5 Ų54.552%0.52431%0.306SS..THydrogen-bonded Turntrans-55.6-23.6-179.954.40000114.5T447 E448T447-S451 PolarHBondContact O-N 3.43Å; E448-S451 WeakPolarHBondContact O-CB 3.14Å; E448-S451 PolarHBondContact O-N 3.49Å; E448-S451 PolarHBondContact O-OG 3.33Å
452Q79.4Confident91.6Very high143 Ų14354.3 Ų54.367%0.66830%0.299SS*.THydrogen-bonded Turntrans-106.517.3178-62.3-173-11.900113.8S450S450-Q452 PolarHBondContact O-N 3.01Å
453G84.4Confident91.7Very high52 Ų5253.8 Ų53.854%0.53630%0.296SS..SBendtrans130.5-119.6178.900000112.5S450S450-G453 WeakPolarHBondContact CB-O 3.34Å; S450-G453 CarbonylContact O-C 3.58Å; S450-G453 PolarHBondContact O-N 3.49Å
454T88.4Confident91.8Very high84 Ų8451 Ų5152%0.51528%0.277SS..SBendtrans-86.2159.5175.155.50000111.2T456 N459T454-T456 PolarHBondContact O-N 3.05Å; T454-N459 PolarHBondContact O-ND2 3.4Å
455L92.1Very high91.8Very high0 Ų049.3 Ų49.30%027%0.27CS..  trans-76.990.5176.7-173.6102.6000110.5S421 L422 L427 Y446 A449S421-L455 WeakPolarHBondContact CA-O 3.2Å; S421-L455 WeakPolarHBondContact CB-O 2.95Å; L422-L455 HydrophobicContact CB-CD2 3.6Å; L422-L455 HydrophobicContact CD1-CD2 4.05Å; L422-L455 HydrophobicContact CG-CD2 4.09Å; L422-L455 PolarHBondContact N-O 3.35Å; L422-L455 VanDerWaalsContact N-O 3.07Å; L427-L455 HydrophobicContact CB-CD2 4.11Å; L427-L455 HydrophobicContact CD1-CD2 4.19Å; L427-L455 HydrophobicContact CD2-CD1 4.18Å; L427-L455 HydrophobicContact CD2-CD2 4.23Å; L427-L455 HydrophobicContact CG-CD2 4.4Å; Y446-L455 HydrophobicContact CD2-CB 4.46Å; Y446-L455 HydrophobicContact CD2-CD1 4.17Å; Y446-L455 HydrophobicContact CD2-CD2 4.43Å; Y446-L455 HydrophobicContact CE2-CB 4.02Å; Y446-L455 HydrophobicContact CE2-CD2 4.47Å; A449-L455 HydrophobicContact CB-CD1 3.25Å; A449-L455 HydrophobicContact CB-CG 4.44Å
456T94.3Very high91.7Very high39 Ų3953.3 Ų53.324%0.23929%0.294CS..  trans-89164.6175.566.30000112T454 E458 N459 L460T454-T456 PolarHBondContact O-N 3.05Å; T456-E458 VanDerWaalsContact C-N 3.31Å; T456-E458 PolarHBondContact O-N 3.06Å; T456-N459 PolarHBondContact O-N 3.37Å; T456-N459 WeakPolarHBondContact OG1-CB 3.23Å; T456-N459 VanDerWaalsContact OG1-CG 3.25Å; T456-N459 PolarHBondContact OG1-N 3Å; T456-N459 PolarHBondContact OG1-ND2 3.25Å; T456-L460 PolarHBondContact O-N 3.33Å
457E95.1Very high91.6Very high49 Ų4952.4 Ų52.423%0.22929%0.292CS..Hα-helixtrans-58.3-43.9176.1-173.1-169.9157.400111.8H408 F411 N459 L460 L461H408-E457 VanDerWaalsContact CA-OE1 3.3Å; H408-E457 WeakPolarHBondContact CA-OE1 3.43Å; H408-E457 WeakPolarHBondContact CB-OE1 3.38Å; H408-E457 IonicContact CE1-OE2 2.78Å; H408-E457 IonicContact CG-OE1 2.75Å; H408-E457 IonicContact CG-OE2 3.59Å; H408-E457 IonicContact ND1-OE1 3.56Å; H408-E457 PolarHBondContact ND1-OE1 3.29Å; H408-E457 IonicContact ND1-OE2 3.89Å; H408-E457 PolarHBondContact ND1-OE2 3.07Å; F411-E457 HydrophobicContact CB-CG 4.14Å; F411-E457 HydrophobicContact CD1-CB 4Å; F411-E457 HydrophobicContact CD1-CG 4.5Å; F411-E457 HydrophobicContact CD2-CB 3.81Å; F411-E457 HydrophobicContact CD2-CG 4.1Å; F411-E457 HydrophobicContact CE1-CB 4.13Å; F411-E457 VanDerWaalsContact CE2-CA 3.43Å; F411-E457 HydrophobicContact CE2-CB 3.93Å; F411-E457 VanDerWaalsContact CE2-N 3.26Å; F411-E457 HydrophobicContact CG-CB 3.83Å; F411-E457 HydrophobicContact CG-CG 3.99Å; F411-E457 HydrophobicContact CZ-CB 4.09Å; F411-E457 VanDerWaalsContact CZ-N 3.26Å; E457-N459 PolarHBondContact O-N 3.41Å; E457-L460 PolarHBondContact O-N 3.38Å; E457-L461 WeakPolarHBondContact O-CB 3.41Å; E457-L461 PolarHBondContact O-N 2.98Å
458E93.1Very high91.6Very high153 Ų15352.6 Ų52.672%0.71530%0.295SS*.Hα-helixtrans-62.9-42.4179.4-174.7174.3-168.600111.5T456 L461 R462T456-E458 VanDerWaalsContact C-N 3.31Å; T456-E458 PolarHBondContact O-N 3.06Å; E458-L461 PolarHBondContact O-N 2.83Å; E458-R462 VanDerWaalsContact O-CB 3.29Å; E458-R462 WeakPolarHBondContact O-CB 3.34Å; E458-R462 PolarHBondContact O-N 3.19Å
459N93.8Very high91.6Very high16 Ų1651.4 Ų51.49%0.08629%0.293CS..Hα-helixtrans-65.5-43.6177.6-72.8-17.2000111.7A449 T454 T456 E457 R462 V463A449-N459 WeakPolarHBondContact O-CB 3.32Å; T454-N459 PolarHBondContact O-ND2 3.4Å; T456-N459 PolarHBondContact O-N 3.37Å; T456-N459 WeakPolarHBondContact OG1-CB 3.23Å; T456-N459 VanDerWaalsContact OG1-CG 3.25Å; T456-N459 PolarHBondContact OG1-N 3Å; T456-N459 PolarHBondContact OG1-ND2 3.25Å; E457-N459 PolarHBondContact O-N 3.41Å; N459-R462 PolarHBondContact O-N 3.44Å; N459-V463 WeakPolarHBondContact O-CG2 3.42Å; N459-V463 PolarHBondContact O-N 2.88Å
460L94.8Very high91.7Very high0 Ų051.8 Ų51.80%029%0.294CS..Hα-helixtrans-63.4-46.9177.2-178.460.3000111L407 F411 L427 L430 L445 A449 T456 E457 R462 V463 L464L407-L460 HydrophobicContact CD1-CD2 4.07Å; F411-L460 HydrophobicContact CD2-CD2 4.32Å; L427-L460 HydrophobicContact CD1-CD1 3.9Å; L427-L460 HydrophobicContact CD1-CD2 4Å; L430-L460 HydrophobicContact CD1-CD2 4.47Å; L430-L460 HydrophobicContact CD2-CD2 4.28Å; L445-L460 HydrophobicContact CD1-CD1 4.33Å; L445-L460 HydrophobicContact CD2-CD1 4.49Å; L445-L460 HydrophobicContact CG-CD1 4.49Å; A449-L460 HydrophobicContact CB-CD1 4.46Å; T456-L460 PolarHBondContact O-N 3.33Å; E457-L460 PolarHBondContact O-N 3.38Å; L460-R462 VanDerWaalsContact C-N 3.32Å; L460-R462 PolarHBondContact O-N 3.32Å; L460-V463 PolarHBondContact O-N 2.9Å; L460-L464 HydrophobicContact CD1-CD1 3.91Å; L460-L464 HydrophobicContact CD1-CG 4Å; L460-L464 HydrophobicContact CG-CD1 3.83Å; L460-L464 HydrophobicContact CG-CG 4.31Å; L460-L464 WeakPolarHBondContact O-CB 3.42Å; L460-L464 VanDerWaalsContact O-CG 3.26Å; L460-L464 WeakPolarHBondContact O-CG 3.47Å; L460-L464 PolarHBondContact O-N 2.77Å
461L94.6Very high91.7Very high31 Ų3154.6 Ų54.616%0.16231%0.305CS..Hα-helixtrans-59.1-44.1176.2179.863000111.2F403 K404 L407 E457 E458 L464 T465F403-L461 HydrophobicContact CD1-CD1 4.46Å; F403-L461 HydrophobicContact CE1-CD1 4.19Å; K404-L461 HydrophobicContact CD-CD2 3.99Å; K404-L461 HydrophobicContact CG-CD2 3.89Å; L407-L461 HydrophobicContact CD2-CB 3.81Å; L407-L461 HydrophobicContact CD2-CD1 3.75Å; L407-L461 HydrophobicContact CD2-CG 4.36Å; E457-L461 WeakPolarHBondContact O-CB 3.41Å; E457-L461 PolarHBondContact O-N 2.98Å; E458-L461 PolarHBondContact O-N 2.83Å; L461-L464 PolarHBondContact O-N 3.33Å; L461-T465 HydrophobicContact CD1-CG2 3.91Å; L461-T465 WeakPolarHBondContact O-CB 3.46Å; L461-T465 WeakPolarHBondContact O-CG2 3.3Å; L461-T465 PolarHBondContact O-N 3.07Å; L461-T465 PolarHBondContact O-OG1 3.16Å
462R94.4Very high92Very high78 Ų7855 Ų5529%0.29430%0.297SS..Hα-helixtrans-57.5-51.5176.3-176.9-176.366.576.5-0.5110.7E458 N459 L460 T465 T466E458-R462 VanDerWaalsContact O-CB 3.29Å; E458-R462 WeakPolarHBondContact O-CB 3.34Å; E458-R462 PolarHBondContact O-N 3.19Å; N459-R462 PolarHBondContact O-N 3.44Å; L460-R462 VanDerWaalsContact C-N 3.32Å; L460-R462 PolarHBondContact O-N 3.32Å; R462-T465 PolarHBondContact O-N 3.24Å; R462-T465 PolarHBondContact O-OG1 3.3Å; R462-T466 HydrophobicContact CG-CG2 4.34Å; R462-T466 VanDerWaalsContact O-CB 3.32Å; R462-T466 WeakPolarHBondContact O-CB 3.31Å; R462-T466 WeakPolarHBondContact O-CG2 3.34Å; R462-T466 PolarHBondContact O-N 3.1Å; R462-T466 PolarHBondContact O-OG1 3.41Å
463V94.2Very high92.5Very high0 Ų048.1 Ų48.10%027%0.265CS..Hα-helixtrans-63.5-46-179173.10000111.3L445 E448 A449 N459 L460 T465 T466 H467 Y470L445-V463 HydrophobicContact CD1-CG1 3.74Å; E448-V463 HydrophobicContact CB-CG1 4.33Å; E448-V463 HydrophobicContact CG-CG1 3.81Å; E448-V463 HydrophobicContact CG-CG2 3.94Å; A449-V463 HydrophobicContact CB-CB 4.26Å; A449-V463 HydrophobicContact CB-CG2 3.87Å; N459-V463 WeakPolarHBondContact O-CG2 3.42Å; N459-V463 PolarHBondContact O-N 2.88Å; L460-V463 PolarHBondContact O-N 2.9Å; V463-T465 PolarHBondContact O-N 2.73Å; V463-T466 PolarHBondContact O-N 3.39Å; V463-H467 HydrophobicContact CG1-CB 4.02Å; V463-H467 WeakPolarHBondContact O-CB 3.36Å; V463-H467 PolarHBondContact O-N 3.38Å; V463-Y470 HydrophobicContact CG1-CD2 3.57Å; V463-Y470 HydrophobicContact CG1-CE2 4.12Å; V463-Y470 HydrophobicContact CG1-CG 4.31Å
464L93.8Very high92.8Very high0 Ų045.8 Ų45.80%024%0.24CC..Hα-helixtrans-63.5-21.3179.2-69.4179.3000113.4F403 L407 M431 L445 L460 L461 Y470 Q471 V474F403-L464 HydrophobicContact CZ-CB 4.46Å; F403-L464 HydrophobicContact CZ-CD1 4.06Å; L407-L464 HydrophobicContact CD1-CD1 4.05Å; L407-L464 HydrophobicContact CD2-CD1 4.1Å; M431-L464 HydrophobicContact CE-CD2 4.46Å; L445-L464 HydrophobicContact CD1-CD2 4.33Å; L460-L464 HydrophobicContact CD1-CD1 3.91Å; L460-L464 HydrophobicContact CD1-CG 4Å; L460-L464 HydrophobicContact CG-CD1 3.83Å; L460-L464 HydrophobicContact CG-CG 4.31Å; L460-L464 WeakPolarHBondContact O-CB 3.42Å; L460-L464 VanDerWaalsContact O-CG 3.26Å; L460-L464 WeakPolarHBondContact O-CG 3.47Å; L460-L464 PolarHBondContact O-N 2.77Å; L461-L464 PolarHBondContact O-N 3.33Å; L464-Y470 CarbonylContact O-C 3.53Å; L464-Q471 VanDerWaalsContact O-CA 3.23Å; L464-Q471 WeakPolarHBondContact O-CA 3.4Å; L464-Q471 PolarHBondContact O-N 3.08Å; L464-V474 HydrophobicContact CB-CG2 3.9Å; L464-V474 HydrophobicContact CD2-CG2 4.43Å; L464-V474 VanDerWaalsContact O-CG2 3.29Å; L464-V474 WeakPolarHBondContact O-CG2 3.49Å
465T91.4Very high92.8Very high56 Ų5645.5 Ų45.534%0.34424%0.235SC..Hα-helixtrans-107.1-21.8-178.555.50000114.5L461 R462 V463 Q471L461-T465 HydrophobicContact CD1-CG2 3.91Å; L461-T465 WeakPolarHBondContact O-CB 3.46Å; L461-T465 WeakPolarHBondContact O-CG2 3.3Å; L461-T465 PolarHBondContact O-N 3.07Å; L461-T465 PolarHBondContact O-OG1 3.16Å; R462-T465 PolarHBondContact O-N 3.24Å; R462-T465 PolarHBondContact O-OG1 3.3Å; V463-T465 PolarHBondContact O-N 2.73Å; T465-Q471 PolarHBondContact O-NE2 3.34Å
466T92.3Very high92.5Very high84 Ų8449.1 Ų49.152%0.51526%0.255SS..Hα-helixtrans-113.7-28.5-174.263.70000113.8R462 V463R462-T466 HydrophobicContact CG-CG2 4.34Å; R462-T466 VanDerWaalsContact O-CB 3.32Å; R462-T466 WeakPolarHBondContact O-CB 3.31Å; R462-T466 WeakPolarHBondContact O-CG2 3.34Å; R462-T466 PolarHBondContact O-N 3.1Å; R462-T466 PolarHBondContact O-OG1 3.41Å; V463-T466 PolarHBondContact O-N 3.39Å
467H93.6Very high92Very high53 Ų5349.4 Ų49.425%0.24525%0.252CS..SBendtrans-78122.7-179.6-172.9-73.2000109.6V463 T469 Y470 Q471V463-H467 HydrophobicContact CG1-CB 4.02Å; V463-H467 WeakPolarHBondContact O-CB 3.36Å; V463-H467 PolarHBondContact O-N 3.38Å; H467-T469 VanDerWaalsContact C-N 3.28Å; H467-T469 PolarHBondContact CE1-OG1 3.49Å; H467-T469 WeakPolarHBondContact ND1-CB 3.43Å; H467-T469 PolarHBondContact ND1-N 3Å; H467-T469 PolarHBondContact O-N 2.97Å; H467-T469 VanDerWaalsContact O-N 3.09Å; H467-Y470 HydrophobicContact CB-CD2 3.96Å; H467-Y470 AromaticContact CG-CD2 3.75Å; H467-Y470 AromaticContact ND1-CD2 3.56Å; H467-Y470 PolarHBondContact O-N 3.32Å; H467-Q471 VanDerWaalsContact O-CB 3.32Å; H467-Q471 WeakPolarHBondContact O-CB 3.25Å; H467-Q471 PolarHBondContact O-N 2.84Å
468P92.7Very high91.5Very high96 Ų9647.2 Ų47.262%0.62324%0.242SC*.Hα-helixtrans-52.5-42.5-170.6-28.734.1000114.2K472P468-K472 PolarHBondContact O-N 3.32Å
469T91.9Very high90.8Very high46 Ų4644 Ų4428%0.28223%0.226SC..Hα-helixtrans-62.4-45.7178.6-53.10000112.9L307 H467 V473L307-T469 HydrophobicContact CD1-CG2 3.79Å; L307-T469 HydrophobicContact CG-CG2 3.78Å; H467-T469 VanDerWaalsContact C-N 3.28Å; H467-T469 PolarHBondContact CE1-OG1 3.49Å; H467-T469 WeakPolarHBondContact ND1-CB 3.43Å; H467-T469 PolarHBondContact ND1-N 3Å; H467-T469 PolarHBondContact O-N 2.97Å; H467-T469 VanDerWaalsContact O-N 3.09Å; T469-V473 PolarHBondContact O-N 3.35Å
470Y93.7Very high89.7Confident9 Ų944.8 Ų44.84%0.03524%0.236CC..Hα-helixtrans-86.3-30.3-173.8-63.3-64.1000112.2G308 L310 L445 V463 L464 H467 K472 V473 V474G308-Y470 VanDerWaalsContact O-CE1 3.28Å; G308-Y470 WeakPolarHBondContact O-CE1 3.03Å; G308-Y470 PolarHBondContact O-OH 2.94Å; L310-Y470 HydrophobicContact CD1-CD1 4.03Å; L310-Y470 HydrophobicContact CD1-CE1 4.06Å; L310-Y470 HydrophobicContact CG-CE1 4.4Å; L445-Y470 WeakPolarHBondContact CA-OH 3.24Å; L445-Y470 HydrophobicContact CB-CE1 3.9Å; L445-Y470 HydrophobicContact CB-CE2 4.44Å; L445-Y470 HydrophobicContact CD1-CD1 3.94Å; L445-Y470 HydrophobicContact CD1-CD2 3.93Å; L445-Y470 HydrophobicContact CD1-CE1 3.84Å; L445-Y470 HydrophobicContact CD1-CE2 3.83Å; L445-Y470 HydrophobicContact CD1-CG 3.99Å; L445-Y470 HydrophobicContact CD2-CE1 4.37Å; L445-Y470 HydrophobicContact CG-CE1 4.24Å; L445-Y470 PolarHBondContact N-OH 3.38Å; L445-Y470 VanDerWaalsContact N-OH 3.16Å; V463-Y470 HydrophobicContact CG1-CD2 3.57Å; V463-Y470 HydrophobicContact CG1-CE2 4.12Å; V463-Y470 HydrophobicContact CG1-CG 4.31Å; L464-Y470 CarbonylContact O-C 3.53Å; H467-Y470 HydrophobicContact CB-CD2 3.96Å; H467-Y470 AromaticContact CG-CD2 3.75Å; H467-Y470 AromaticContact ND1-CD2 3.56Å; H467-Y470 PolarHBondContact O-N 3.32Å; Y470-K472 PolarHBondContact O-N 3.49Å; Y470-V473 WeakPolarHBondContact O-CA 3.47Å; Y470-V473 VanDerWaalsContact O-CB 3.29Å; Y470-V473 WeakPolarHBondContact O-CB 3.29Å; Y470-V473 PolarHBondContact O-N 3.23Å; Y470-V474 PolarHBondContact O-N 2.86Å
471Q93.4Very high88Confident82 Ų8250.9 Ų50.938%0.38326%0.264SS..Hα-helixtrans-57-41.5168.8-171.9-175.246.700111.1L464 T465 H467 V473 V474 N475L464-Q471 VanDerWaalsContact O-CA 3.23Å; L464-Q471 WeakPolarHBondContact O-CA 3.4Å; L464-Q471 PolarHBondContact O-N 3.08Å; T465-Q471 PolarHBondContact O-NE2 3.34Å; H467-Q471 VanDerWaalsContact O-CB 3.32Å; H467-Q471 WeakPolarHBondContact O-CB 3.25Å; H467-Q471 PolarHBondContact O-N 2.84Å; Q471-V473 VanDerWaalsContact C-N 3.33Å; Q471-V473 PolarHBondContact O-N 3.37Å; Q471-V474 PolarHBondContact O-N 2.82Å; Q471-N475 VanDerWaalsContact O-CG 3.26Å; Q471-N475 PolarHBondContact O-N 3.3Å; Q471-N475 PolarHBondContact O-ND2 3.25Å
472K90.8Very high85.4Confident83 Ų8358.6 Ų58.636%0.36130%0.299SS..Hα-helixtrans-61.3-39.7173.1-171.4176.6-178.2-177.30112.6L307 P468 Y470 V474 N475 D476L307-K472 HydrophobicContact CD2-CB 4.29Å; L307-K472 HydrophobicContact CD2-CD 4.1Å; L307-K472 HydrophobicContact CD2-CG 4.26Å; P468-K472 PolarHBondContact O-N 3.32Å; Y470-K472 PolarHBondContact O-N 3.49Å; K472-V474 VanDerWaalsContact C-N 3.33Å; K472-V474 PolarHBondContact O-N 3.26Å; K472-N475 PolarHBondContact O-N 3.14Å; K472-D476 WeakPolarHBondContact CE-OD2 3.41Å; K472-D476 WeakPolarHBondContact CG-OD2 3.3Å; K472-D476 VanDerWaalsContact O-CB 3.28Å; K472-D476 WeakPolarHBondContact O-CB 3.47Å; K472-D476 VanDerWaalsContact O-CG 3.32Å; K472-D476 PolarHBondContact O-N 3.44Å
473V90.9Very high82.5Confident0 Ų062.3 Ų62.30%032%0.32CS..Hα-helixtrans-59.5-46174.3177.40000110.7L307 L310 L312 L435 T469 Y470 Q471 Y477 L478L307-V473 HydrophobicContact CD2-CG2 3.81Å; L307-V473 HydrophobicContact CG-CG2 4.26Å; L310-V473 HydrophobicContact CD1-CG1 4.18Å; L310-V473 HydrophobicContact CD1-CG2 4.23Å; L312-V473 HydrophobicContact CD1-CG2 4.11Å; L312-V473 HydrophobicContact CD2-CG1 3.69Å; L312-V473 HydrophobicContact CD2-CG2 4.23Å; L435-V473 HydrophobicContact CD2-CG1 4.26Å; T469-V473 PolarHBondContact O-N 3.35Å; Y470-V473 WeakPolarHBondContact O-CA 3.47Å; Y470-V473 VanDerWaalsContact O-CB 3.29Å; Y470-V473 WeakPolarHBondContact O-CB 3.29Å; Y470-V473 PolarHBondContact O-N 3.23Å; Q471-V473 VanDerWaalsContact C-N 3.33Å; Q471-V473 PolarHBondContact O-N 3.37Å; V473-Y477 WeakPolarHBondContact O-CB 3.2Å; V473-Y477 PolarHBondContact O-N 3.45Å; V473-L478 HydrophobicContact CG1-CD1 4.45Å
474V90.3Very high79.3Confident3 Ų365 Ų652%0.01835%0.348CS..Hα-helixtrans-63.1-48.8-179.9175.40000111F403 L464 Y470 Q471 K472 L478 Q479F403-V474 HydrophobicContact CD1-CG1 3.9Å; F403-V474 HydrophobicContact CD2-CG1 4.05Å; F403-V474 HydrophobicContact CE1-CG1 3.79Å; F403-V474 HydrophobicContact CE1-CG2 3.96Å; F403-V474 HydrophobicContact CE2-CG1 3.96Å; F403-V474 HydrophobicContact CE2-CG2 4.14Å; F403-V474 HydrophobicContact CG-CG1 4.03Å; F403-V474 HydrophobicContact CZ-CB 4.37Å; F403-V474 HydrophobicContact CZ-CG1 3.83Å; F403-V474 HydrophobicContact CZ-CG2 3.55Å; L464-V474 HydrophobicContact CB-CG2 3.9Å; L464-V474 HydrophobicContact CD2-CG2 4.43Å; L464-V474 VanDerWaalsContact O-CG2 3.29Å; L464-V474 WeakPolarHBondContact O-CG2 3.49Å; Y470-V474 PolarHBondContact O-N 2.86Å; Q471-V474 PolarHBondContact O-N 2.82Å; K472-V474 VanDerWaalsContact C-N 3.33Å; K472-V474 PolarHBondContact O-N 3.26Å; V474-L478 HydrophobicContact CG2-CD1 4.45Å; V474-L478 CarbonylContact O-C 3.33Å; V474-L478 WeakPolarHBondContact O-CA 3.37Å; V474-L478 PolarHBondContact O-N 3.04Å; V474-Q479 HydrophobicContact CG1-CG 4.39Å; V474-Q479 PolarHBondContact O-N 3.1Å
475N88Confident76.1Confident77 Ų7771.2 Ų71.241%0.41239%0.388SS..Hα-helixtrans-67.7-41.8-176.2-66.2-13.4000112.6Q471 K472 Q479Q471-N475 VanDerWaalsContact O-CG 3.26Å; Q471-N475 PolarHBondContact O-N 3.3Å; Q471-N475 PolarHBondContact O-ND2 3.25Å; K472-N475 PolarHBondContact O-N 3.14Å; N475-Q479 PolarHBondContact OD1-NE2 3.04Å
476D84.8Confident72.9Confident76 Ų7676.8 Ų76.841%0.40641%0.41SS..Hα-helixtrans-86.7-23.8-173.3-62.4-4.2000112.5K472K472-D476 WeakPolarHBondContact CE-OD2 3.41Å; K472-D476 WeakPolarHBondContact CG-OD2 3.3Å; K472-D476 VanDerWaalsContact O-CB 3.28Å; K472-D476 WeakPolarHBondContact O-CB 3.47Å; K472-D476 VanDerWaalsContact O-CG 3.32Å; K472-D476 PolarHBondContact O-N 3.44Å
477Y84.4Confident69.7Low46 Ų4678.8 Ų78.818%0.1843%0.425CS..Hα-helixtrans-129.5-15.4-170.3-65.9-93.2000116.1S305 L312 P313 P316 L397 V473S305-Y477 PolarHBondContact OG-OH 3.12Å; L312-Y477 HydrophobicContact CB-CD1 4.15Å; L312-Y477 HydrophobicContact CB-CD2 4.45Å; L312-Y477 HydrophobicContact CB-CE1 3.78Å; L312-Y477 HydrophobicContact CB-CE2 4.12Å; L312-Y477 HydrophobicContact CB-CG 4.47Å; L312-Y477 HydrophobicContact CD1-CD2 3.83Å; L312-Y477 HydrophobicContact CD1-CE2 3.52Å; L312-Y477 HydrophobicContact CD2-CD2 4.45Å; L312-Y477 HydrophobicContact CD2-CG 4.47Å; L312-Y477 HydrophobicContact CG-CD2 4.48Å; L312-Y477 HydrophobicContact CG-CE2 4.36Å; P313-Y477 WeakPolarHBondContact O-CE1 3.33Å; P316-Y477 HydrophobicContact CG-CD1 4.26Å; L397-Y477 WeakPolarHBondContact CD2-O 3.3Å; V473-Y477 WeakPolarHBondContact O-CB 3.2Å; V473-Y477 PolarHBondContact O-N 3.45Å
478L84.8Confident66.4Low3 Ų380.3 Ų80.32%0.01644%0.441CS..SBendtrans-12723-174.7-57174.1000112.9A396 F403 L434 L435 V473 V474A396-L478 HydrophobicContact CB-CB 4.47Å; A396-L478 HydrophobicContact CB-CD2 3.92Å; A396-L478 CarbonylContact O-C 3.59Å; A396-L478 VanDerWaalsContact O-O 3.11Å; F403-L478 HydrophobicContact CD2-CB 4.2Å; F403-L478 HydrophobicContact CE2-CB 3.99Å; F403-L478 HydrophobicContact CE2-CD1 3.95Å; L434-L478 HydrophobicContact CB-CD1 4.45Å; L434-L478 HydrophobicContact CB-CD2 3.9Å; L434-L478 WeakPolarHBondContact O-CD2 3.43Å; L435-L478 HydrophobicContact CD2-CD2 3.95Å; L435-L478 HydrophobicContact CD2-CG 4.29Å; V473-L478 HydrophobicContact CG1-CD1 4.45Å; V474-L478 HydrophobicContact CG2-CD1 4.45Å; V474-L478 CarbonylContact O-C 3.33Å; V474-L478 WeakPolarHBondContact O-CA 3.37Å; V474-L478 PolarHBondContact O-N 3.04Å
479Q79.1Confident63.3Low84 Ų8482.3 Ų82.339%0.39345%0.454SS..SBendtrans-128.8150.7171.5-71.1-179.210.800110A396 V474 N475 E481A396-Q479 PolarHBondContact O-N 3.24Å; V474-Q479 HydrophobicContact CG1-CG 4.39Å; V474-Q479 PolarHBondContact O-N 3.1Å; N475-Q479 PolarHBondContact OD1-NE2 3.04Å; Q479-E481 PolarHBondContact O-N 3.47Å
480A69.1Low60.2Low34 Ų3484.1 Ų84.128%0.28147%0.474SS..PPolyproline II helixtrans-67.2129.517000000109.1D399D399-A480 WeakPolarHBondContact OD1-CB 3.26Å
481E59.2Low57Low127 Ų12788 Ų8859%0.59351%0.508SS*.PPolyproline II helixtrans-69.7131.2166.4-84.8169.9-158.300108.8R319 Q479 E483R319-E481 IonicContact CZ-OE1 2.62Å; R319-E481 IonicContact CZ-OE2 2.85Å; R319-E481 IonicContact NH1-OE1 3.72Å; R319-E481 PolarHBondContact NH1-OE1 2.98Å; R319-E481 IonicContact NH1-OE2 3.73Å; R319-E481 PolarHBondContact NH1-OE2 3.34Å; R319-E481 IonicContact NH2-OE1 3.9Å; R319-E481 PolarHBondContact NH2-OE1 3.14Å; R319-E481 IonicContact NH2-OE2 3.25Å; Q479-E481 PolarHBondContact O-N 3.47Å; E481-E483 PolarHBondContact O-N 3.33Å
482E40.3Very low53.9Low193 Ų19389.1 Ų89.190%0.90253%0.531SS*.PPolyproline II helixtrans-57.1120.7161.6-69.8-173.216700107.6G484E482-G484 VanDerWaalsContact C-N 3.33Å; E482-G484 PolarHBondContact O-N 3.3Å
483E33Very low51Low157 Ų15789.7 Ų89.773%0.73455%0.551SS**  trans-58.794.4179-75.2-175.2171.400109.9R326 E481R326-E483 IonicContact CZ-OE1 3.1Å; R326-E483 IonicContact NH1-OE1 3.05Å; R326-E483 PolarHBondContact NH1-OE1 2.85Å; E481-E483 PolarHBondContact O-N 3.33Å
484G28.4Very low48.1Very low57 Ų5793.6 Ų93.659%0.58858%0.584SS**PPolyproline II helixtrans-60.7145.9164.900000109.8E482 Q486E482-G484 VanDerWaalsContact C-N 3.33Å; E482-G484 PolarHBondContact O-N 3.3Å; G484-Q486 PolarHBondContact O-N 3.23Å
485P26.1Very low45Very low129 Ų129101.8 Ų101.884%0.83863%0.627SS**PPolyproline II helixtrans-59.6124.8-169.523.2-32.5000110.8
486Q25.2Very low42.3Very low174 Ų174101.8 Ų101.881%0.81365%0.645SS**PPolyproline II helixtrans-51.9131170.7-71.2-129.4-22.600109.8G484 S488G484-Q486 PolarHBondContact O-N 3.23Å; Q486-S488 PolarHBondContact O-N 3.41Å
487P24.9Very low39.5Very low126 Ų126107.4 Ų107.482%0.81867%0.666SS**  trans-64.3111.9172.424.8-30.1000108.3
488S24Very low36.8Very low85 Ų85110.1 Ų110.159%0.59470%0.698SS**  trans-58.7144.4177.5-390000110Q486 A490Q486-S488 PolarHBondContact O-N 3.41Å; S488-A490 PolarHBondContact O-N 3.47Å
489P27.2Very low34.1Very low137 Ų137116.1 Ų116.189%0.8974%0.735SS**THydrogen-bonded Turntrans-64.1-1.1-179-19.230.9000115.3
490A26.4Very low31.5Very low84 Ų84119.7 Ų119.769%0.69476%0.757SS**THydrogen-bonded Turntrans-95.1-7.6-17100000115.1S488S488-A490 PolarHBondContact O-N 3.47Å
491A26.9Very low29.4Very low92 Ų92123.5 Ų123.576%0.7678%0.781SS**G310 helixtrans-88.7-2.6-17700000115A493A491-A493 VanDerWaalsContact C-N 3.29Å; A491-A493 PolarHBondContact O-N 2.78Å
492A27.5Very low27.8Very low105 Ų105125.8 Ų125.887%0.86880%0.797SS**G310 helixtrans-84.76179.500000114.5
493A30.3Very low27.1Very low94 Ų94119.6 Ų119.678%0.77779%0.786SS**G310 helixtrans-128.840.8-175.700000113.5A491A491-A493 VanDerWaalsContact C-N 3.29Å; A491-A493 PolarHBondContact O-N 2.78Å
494A29.9Very low26.8Very low83 Ų83118.6 Ų118.669%0.68679%0.79SS**SBendtrans-160.974.7164.400000111.6
495N26.2Very low26.9Very low174 Ų174122.4 Ų122.493%0.9380%0.802SS**  trans-162.566.6149.2-104.5-11000110.3
496G30.4Very low26.9Very low77 Ų77125.1 Ų125.179%0.79480%0.803SS**  trans-114.480.715900000108.3
497K25.8Very low27Very low194 Ų194120.6 Ų120.684%0.84380%0.804SS**  trans-145.7110.6158.6-98.9-177.9-176.91790109.1
498A29Very low27.1Very low103 Ų103118.7 Ų118.785%0.85180%0.799SS**  trans-55.2134.5165.700000109.7
499V26.3Very low27.2Very low129 Ų129122.9 Ų122.978%0.78281%0.814SS**  trans-125.8106163.7178.60000107.2
500N24.8Very low27.1Very low159 Ų159120.2 Ų120.285%0.8581%0.812SS**  trans-60.7133.4159.9-82.4-21.6000109
501S26.3Very low27.1Very low115 Ų115125.4 Ų125.480%0.80482%0.819SS**  trans-117.489.9164.344.10000110
502N25.6Very low27.1Very low174 Ų174127.2 Ų127.293%0.9382%0.815SS**  trans-103.5137.2151.4-88.1-11.8000107.6
503G25.9Very low27.1Very low64 Ų64130.6 Ų130.666%0.6681%0.813SS**  trans139.686.2174.900000109.3
504V26.5Very low27Very low135 Ų135135.2 Ų135.282%0.81882%0.818SS**  48.290.773.5-170.30000111
505T29Very low27Very low138 Ų138141 Ų14185%0.84783%0.828SS**  trans-105.6122.216040.70000109
506H27.6Very low27.1Very low185 Ų185142 Ų14286%0.85682%0.824SS**  trans-62.1130168.5-86.3-83.6000110.8
507G26.1Very low27.3Very low80 Ų80146 Ų14683%0.82583%0.826SS**  trans-131.8113.1155.800000107.4
508A26.5Very low27.8Very low86 Ų86149 Ų14971%0.71184%0.844SS**  trans-89.6153.3-175.700000112.4
509N26.4Very low27.8Very low172 Ų172151.4 Ų151.492%0.9284%0.843SS**  trans81.9108.9157-64.8-11.4000119.3
510G25.1Very low27.9Very low82 Ų82152.5 Ų152.585%0.84585%0.847SS**  trans-177.296.3164.900000111.2
511F26.2Very low28Very low193 Ų193152.2 Ų152.285%0.84685%0.846SS**  trans-59.4155.8-177.2-130.5-125.9000114.3
512L28.1Very low28.1Very low130 Ų130154.4 Ų154.468%0.68185%0.849SS**  trans100.9114.3148.2-66.4155.5000122
513Q27.8Very low28.3Very low175 Ų175153.1 Ų153.182%0.81884%0.844SS**  74.4109.8129.8-79.8-179.3-3.100121.1
514H28.7Very low28.5Very low191 Ų191159.1 Ų159.188%0.88486%0.856SS**  trans-35.8129.2141.6-89.8-63.3000113.8
515K29Very low28.6Very low206 Ų206160.8 Ų160.890%0.89686%0.859SS**  trans-146.6124.6137.9-120.4178.1-178.6-178.80111
516K28.7Very low28.6Very low193 Ų193162.5 Ų162.584%0.83986%0.86SS**  trans-68.8168.5161.3-110.8177.3173.3-178.90109.9
517L33.1Very low28.7Very low161 Ų161160.7 Ų160.784%0.84386%0.86SS**  trans100123.7170-63.8149.7000111.3
518E38.3Very low28.9Very low259 Ų259168 Ų168100%1.2186%0.863SS**  cis-142.3019.3-99.6163179.400111.5

Retrieved 518 of 518 residues in 166.9 ms (Link to these results)

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